The orchestration of Cornus kousa fruit and gut microbiota for anti- obesity via integrated pharmacological analysis based on metabolomics

The orchestration of Cornus kousa fruit and gut microbiota for anti- obesity via integrated pharmacological analysis based on metabolomics | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Research Article The orchestration of Cornus kousa fruit and gut microbiota for anti- obesity via integrated pharmacological analysis based on metabolomics Ki-Kwang Oh, Sang-Jun Yoon, Su-Been Lee, Sang Youn Lee, Haripriya Gupta, and 6 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-2842996/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract Background : Cornus kousa fruit (CKF) has been utilized as anti-obesity (AOB) supplementation in East Asia, including Korea, and gut microbiota (GM) might have positive effects on obesity (OB) via its interplay. We aimed to decode molecule(s), mechanism(s), and target(s) on interactive association between CKF and GM via network pharmacology (NP) analysis. The chemical constituents from ethanolic CKF (ECKF) were detected by Gas Chromatography-Mass Spectrometry (GC-MS). Results : The 31 compounds in ECKF were accepted by Lipinski’s rule and the overlapping targets (45) were identified by SEA and STP. The final targets (22) were selected on OB-responded targets, indicating that IL6 was the most crucial protein-coding target on PPI networks. A bubble plot and CKF, GM, signaling pathways, targets, and metabolites (CGSTM) networks suggested that AGE-RAGE signaling pathway in diabetic complications inhibited by CKF, and PPAR signaling pathway activated by GM. As the most stable conformers, the IL6-equol complex was attributed to GM, and PPARA-linoleic acid, PPARD-stearic acid, and FABP4-dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate complex were attributed to CKF. Noticeably, stearic acid was removed by Density Functional Theory (DFT) analysis, all other three molecules were proposed as good electron donators with the higher electronegativity, compared with a standard drug (Orlistat). Conclusion : This study shows that integrated pharmacological analysis can enable to decode the unknown relationships between CKF and GM. For the extensive viewpoints, our approach can obtain scientific evidence to verify the food-GM-host interactions by introducing several fields: bioinformatics, cheminformatics, pharmacology, microbiology, natural products chemistry, and quantum chemistry. Overall, this study reveals that the combination of CKF and favorable GM might exert dual therapeutic effects on OB. Cornus kousa fruit gut microbiota network pharmacology analysis AGE-RAGE signaling pathway in diabetic complications PPAR signaling pathway Figures Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 Figure 6 Figure 7 Background Obesity (OB) influences negatively on diverse metabolic disorders such as cardiovascular diseases (CVD), diabetes, hypertension, heart failure, which accounts for around one-fifth of cancer types [ 1 , 2 ]. In 2014, more than 2 billion people, approximately one-third of the world population were overweight or around 5% of mortality is liable to OB [ 3 ]. OB is represented by excessive accumulation of fat in the tissue, leading unbalanced energy, inappropriate secretion of appetite hormones, and insulin resistance [ 4 ]. BMI (Body Mass Index) is a criteria to assess OB, its clinical standard is more than 30.0 or higher [ 5 ]. The most significant therapeutics for anti-obesity (AOB) is to block the absorption of lipid in the body tissue, furthermore, to dampen the decomposition and transportation of fat via metabolic pathways [ 6 ]. Up to now, five representative medications (Orlistat, Phentermine/topiramate, Naltrexon/bupropion, Liraglutide, and Lorcaserin) against OB have been taken to alleviate its pathophysiological mechanism in spite of some side effects (insomnia, anxiety, depression, diarrhea, and vomiting) [ 7 ]. At present, a therapeutic strategy to diminish the adverse effects might be an optimal selective for the obese. For the past decade years, natural products have been increasingly significant therapeutic resource for the alleviation in OB due to its low negative side effects [ 8 ]. In recent years, the ethanolic fraction of Cornus kousa leaves (CKLs) exerted potent AOB efficacy by downregulating adipogenesis and lipogenesis in 3T3- L1 cells [ 9 ]. Commonly, leaves and fruits possess in the majority of chemical constituents, however, fruits comprised more notable chemical compounds and contained higher chemo-diversity [ 10 ]. Thus, we aimed to elucidate the therapeutic value on Cornus kousa fruit (CKF) in the treatment of OB. The AOB effects of herbal organic compounds are mediated by synchronizing lipolysis, and lipogenesis [ 11 ]. However, during the past decades, bona fide efficacy of the natural products has been controversial although noticeable progression has been advanced in treating OB on herbal remedy [ 12 ]. Also, its exact pharmacological mechanisms against OB are yet to be determined. From another viewpoint, GM played important role to alleviate OB and therefore commensal bacteria modulate numerous genes to improve immune system [ 13 , 14 ]. Most recently, the diversity of GM had favorable therapeutic effects on humans and animal models in OB [ 15 ]. A report demonstrated that GM-derived metabolites (amino acids, lipid-like compounds, and bile acid derivatives, or byproducts of carnitine, choline, polyphenols, and purines) involved in metabolic disorders of OB, along with insulin resistance, hyperglycemia, and dyslipidemia [ 16 ]. According to study done to date, it elicits that metabolites from GM could be useful agents in ameliorating OB. Collectively, we firstly integrated chemical constituents of CKF and metabolites of GM to investigate the combination efficacy in the treatment on OB. With a bird’s eye view, we postulated that integrative application of natural compounds of CKF, and metabolites of GM can facilitate the alleviative efficacy for AOB. It is imperative to utilize the network pharmacology (NP) concept to elucidate its combinatorial effects concerning OB. NP can unravel the biological mechanisms(s) of key effectors with extensive concept, which defined as the paradigm shift from “one target, one ligand, one disease” to “network-integrated-multi component therapeutics” [ 17 , 18 ]. Additionally, the progressive development of bioinformatics, system biology, and cheminformatics is an emerging trend to discover new agents or repurpose existing drugs [ 19 ]. Noticeably, NP methodology might be a powerful tool to decode promising new drugs to dampen metabolic disorders, including AOB [ 20 ]. From this perspective, we devised new method and concept to reveal AOB effects via combination of compounds from CKF and metabolites from GM. Firstly, chemical constituents from CKF were detected by Gas Chromatography-Mass Spectrum (GC-MS) and evaluated the drug-resemblance properties by Lipinski’s rule. The targets related to the chemical compounds were retrieved by Similarity Ensemble Approach (SEA) and SwissTargetPrediction (STP), the intersecting targets of which were identified by Venn diagram plotter. Secondly, OB-responded targets were sorted by public bioinformatics and filtered the final targets from the intersecting targets. The final overlapping targets are elements to analyze protein protein interaction (PPI) networks and a bubble plot. Thirdly, we utilized the GM database as to its metabolites and constructed relationships of CKF or GM, signaling pathways, targets, and molecules (CGSTM). Then, we performed molecular docking assay (MDA) to verify key compound(s) on key target(s) in key signaling pathway(s). Finally, Density Functional Theory (DFT) was conducted to verify the chemical stability and reactivity of the key targets in this study. The stepwise processing of this study is described in Fig. 1 . Methods The collection and extraction of CKF Cornus kousa fruit (CKF) (Fig. 2 A) were collected from (latitude: 37.52, longitude:128.29) Kangwon-do, Korea, in October 2022. The CKF was dried in a shaded room with air ventilator maintaining 20–22 ℃ for 3 weeks, and its seeds were removed from the dried CKF. The CKF removed seeds pulverized with blender. Around 30 g of CKF powder was extracted with 500ml ethyl alcohol (Samchun, Korea, Seoul) for 2 weeks and repeated three times to obtain higher yield rate. The ethyl alcohol extract was collected, used Whatman filter paper No. 1 (Whatman, Model no. WF1-1850, UK Maidstone), and evaporated with a vacuum evaporator (IKA- RV8, Staufen city, Germany) at 40°C. The extraction amount after evaporating was 7.78 g (yield rate: 25.9%), which was calculated as below formula: Yield rate (%) = (Evaporated extraction weight/Dried CKF weight) × 100 The GC-MS analysis condition We employed Agilent 7890A (Agilent, Santa Clara, CA, USA) to conduct for GC–MS, its column was selected as DB-5 (30 m × 0.25 mm × 0.25 µm) (Agilent, Santa Clara, CA, USA) with reverse phase. The GC–MS was kept at 100°C for 2.1 min, rising gradually to 300°C at a rate of 25°C/min and was maintained for 20 min. Injection port temperature was 250°C and helium flow rate was 1.5 mL/min, and the ionization voltage was 70 eV. The split mode of sample injection was at 10:1 and the Mass Spectra (MS) detection range consisted of 35–900 (m/z). The fragmentation modes of MS were compared with the W8N05ST Library MS database (analyzed 13 January 2023). The utilization of the web-accessible public databases The rapid development of public databases’ technologies, including bioinformatics, and cheminformatics, provides a great amount of data produced that is in gradual improvement in diverse research fields. To be utilized the significant bio databases in drug discovery or development is a powerful analytical technology. Specifically, we merged the important databases to cull the valuable components in intricated microbiome research. We categorized the accessible database repositories in Table 1 . Identification of chemical compounds in CKF and filtering of drug-resemblance biomolecules The chemical compounds in CKF were identified by GC-MS analysis, converting into Simplified Molecular Input Line Entry System (SMILES) format via PubChem ( https://pubchem.ncbi.nlm.nih.gov/ ) (accessed on 19 February 2023). Then, we employed Lipinski’s rule to screen drug-resemblance biomolecules (DRBs) through SwissADME ( http://www.swissadme.ch/ ) (accessed on 19 February 2023). As a criterion of cell permeability, we adopted topological polar surface area (TPSA) value with less than 140 Å 2 (a threshold) [ 21 ]. Targets associated with DRBs from CKF or OB The targets related to DRBs were browsed by Similarity Ensemble Approach (SEA) [ 22 ], SwissTargetPrediction (STP) [ 23 ] on “Homo Sapiens” mode. The relationship between targets and DRBs was constructed by utilizing the two databases, which confirmed its effectiveness through experimentation: Approximately 80% out of drug candidates line up with SEA database, additionally, the significant targets on Cudraflavone C were sorted by STP, its bioactivities were confirmed by experiment [ 24 , 25 ]. The targets related to DRBs were identified by DisGeNET ( https://www.disgenet.org/ ) (accessed on 20th February 2023) and OMIM ( https://www.omim.org/ ) (accessed on 20th February 2023). The final intersecting targets between sorted DRBs-associated targets and OB-responded targets were established and visualized via Venn diagram plotter. The protein-protein-interaction (PPI) networks and a bubble chart The PPI networks were constructed to discern what the most significant target is among intersecting targets. We adopted STRING ( https://string-db.org/ ) (accessed on 21th February 2023) database for the PPI construction and a bubble chart was plotted by R package. The bubble chart was built by rich factor defined as the number of differentially expressing targets annotated in each pathway [ 26 ]. Based on the bubble chart, we could identify an activating signaling pathway and an inhibitive signaling pathway. Hence, we considered as key mechanisms in the treatment of OB. The CKF or GM─Signaling pathways─Targets─Metabolites (CGSTM) networks We employed gutMGene database to incorporate the metabolites of GM, thereby, assembled merged networks, defining as CKF or GM─Signaling pathways─Targets─Metabolites (CGSTM) networks. The CGSTM networks were constructed as a map, based on degree of value (DV). In the incorporated networks, taking CKF or GM, signaling pathways, targets, and metabolites as nodes, its relationships were indicated as edges. The green circles represented GM, red circles stood for signaling pathways, orange circles indicated targets, and purple circles described metabolites. Then, the gray line indicated its relationships and the metabolites from GM represented with red color text. The integrated CGSTM networks were plotted by R Package. The verification for molecular docking assay (MDA) We performed the MDA to select the uppermost biomolecule(s) from two key signaling pathways. Based on MDA, we can identify what the most significant metabolite(s) are stemmed from either GM or CKF. The targets were retrieved by RCSB PDB ( https://www.rcsb.org/ ) (accessed on 22th February 2023). The extracted .pdb format was transformed into .pdbqt format via Autodock tool ( https://autodock.scripps.edu/ ) (accessed on 22th July 2023) to perform the MDA. Then, the DRBs related to the targets were determined .sdf format by PubChem, and the.sdf configuration was altered into.pdb file via Pymol. MDA of biomolecules on targets related to key signaling pathways The MDA was analyzed to elucidate its affinity of the biomolecules and targets linked to two key signaling pathways to be functioned as effector(s). The center of targets on the two key signaling pathways was x = 11.213, y = 33.474, z = 11.162, and x = 8.006, y=-0.459, z = 23.392, respectively. The cubic box size of active site was x = 40 Å, y = 40 Å, z = 40 Å. The LigPlot + 2.2 was utilized to describe the interaction of 2D binding on hydrophobic and hydrophilic bonds ( https://www.ebi.ac.uk/thornton-srv/software/LigPlus/ ) (accessed on 23th February 2023) [ 27 ]. The reactivity of key biomolecules via frontier molecular orbitals (FMO) Based on the Lee-Yang-Parr (LYP) correlation functional theory at the 6-31G++ (d,p), the key biomolecules including positive controls were completely formatted utilizing GaussView 6.0 and Gaussian 16W software. This setup methodology was to obtain molecular orbitals (MO): lowest occupied molecular orbital (LUMO), and highest occupied molecular orbital (HOMO). To assess the reactivity of key molecules, energy gap (eV), hardness (ɳ), softness (S), and electronegativity (χ) were calculated by below formulae. Energy gap = HOMO ─ LUMO ɳ = (LUMO ─ HOMO)/2 S = 1/ ɳ χ = (LUMO ─ HOMO)/2 Results Profiling of biomolecules from CKF A total of 31 biomolecules were recorded by Gas Chromatography Mass Spectrum (GC-MS) (Fig. 2 B), which was listed up biomolecule name, PubChem ID, retention time (RT), area, and chemical taxonomy (Table 2 ). The 31 biomolecules were accepted by Lipinski’s rule (Molecular Weight ≤ 500 g/ mol; Moriguchi octanol–water partition coefficient ≤ 4.15; Number of Nitrogen or Oxygen ≤ 10; Number of NH or OH ≤ 5). The TPSA values as the cell permeability standard are less than 140 Å 2 , the chemical constituents confirmed by the filtering were considered as DRBs (Table 3 ). Recognition of intersecting targets between SEA and STP databases The targets associated with DRBs were identified by SEA and STP databases, indicating that targets identified by SEA (343), STP (458), each other ( Supplementary Table S1 ). The Venn diagram plotter represented the intersecting targets (45) as important targets linked to DRBs ( Supplementary Table S1 ) (Fig. 3 A). Identification of the final overlapping targets between OB-responded targets and the intersecting targets (45) The number of 3028 targets connected to occurrence and progression of OB were browsed by DisGeNET and OMIM databases. Also, the Venn diagram plotter exhibited that a total of 22 targets was the uppermost targets between CKF-related and OB-responded targets ( Supplementary Table S1 ) (Fig. 3 B). However, among the number of 22 targets, the number of four targets (PDCD4, ADH1B, GSTK1, and OXER1) was not correlated with one another. PPI networks and key signaling pathways via a bubble plot The PPI networks were identified the most significant target via STRING database with assistance of R Package, suggesting that IL6 had the greatest degree of value (12) in 18 targets (18 nodes, and 37 edges) (Table 4 ), (Fig. 3 C). A bubble plot is according to targets of PPI networks, demonstrating that PPAR signaling pathway as an agonistic mode, and AGE-RAGE signaling pathway in diabetic complications as an antagonistic function might exert therapeutic efficacy on OB (Table 5 ) (Fig. 3 D). The CGSTM analysis with GM, and CKF The CGSTM networks consist of CKF, 10 GMs, 2 signaling pathways, 7 targets, and 21 metabolites, representing as 41 nodes, and 59 edges. The CKF, Enterococcus faecalis, Lactobacillus paracasei, Strepotococcus salivarius JIM8772 , and Strepotococcus salivarius K12 related to PPAR signaling pathway on FABP4, PPARA, PPARD, and PPARG with 10 metabolites. The Eubacterium limosum, Lactobacillus paracasei JS1, Enterococcus durans EP1, Enterococcus durans EP2, Enterococcus durans EP3, and Enterococcus durans M4-5 associated with AGE-RAGE signaling pathway in diabetic complications on CDC42, VEGFA, and IL6 with 11 metabolites (Fig. 4 ). Hence, GM’s metabolites and CKF biomolecules show that they have strong relationships to exert the therapeutic effects in treating OB. Molecular docking assay (MDA) In the PPAR signaling pathway, the MDA unveiled that both linoleic acid and stearic acid on PPARA (PDB ID: 3SP6) and PPARD (PDB ID: 5U3Q) had valid docking scores with − 6.0 kcal/mol, and − 6.8 kcal/mol, respectively (Fig. 5 A, 5 B). On VEGFA (PDB ID: 3P9W) and PPARG (PDB ID: 3E00), there were no potent metabolites from CKF or GM. Noticeably, dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate had the most stable binding score (-6.7 kcal/mol) on FABP4 (PDB ID: 3P6D) (Fig. 5 C). The potential ligands on the PPAR signaling pathway were originated from CKF. In the AGE-RAGE signaling pathway in diabetic complications, IL6 (PDB ID: 4NI9) was associated with nine metabolites out of DRBs from CKF or GM: (1) equol (PubChem ID: 91469), (2) 3-indolepropionic acid (PubChem ID: 3744), (3) 3-deoxy-d-mannoic lactone (PubChem ID: 541561), (4) linoleic acid (PubChem ID: 5280450), (5) 9,12-octadecadienoic acid (PubChem ID: 3931), (6) butyrate (PubChem ID: 104775), (7) acetate (PubChem ID: 175), (8) trimethylamine oxide (PubChem ID: 1145), (9) propionate (PubChem ID: 104745). In nine metabolites, the most stable conformer was equol converted from Lactobacillus paracasei JS1 , which was − 7.2 kcal/mol with valid binding energy (Fig. 5 D). Commonly, the active value of binding energy is less than − 6.0 kcal/mol on AutoDock Vina [ 28 ]. Next, on CDC42 (PDB ID: 3GCG), (1) 2-amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one (PubChem ID: 15954620) produced by CKF formed the most stable complex with − 6.8 kcal/mol (Fig. 5 E), followed by (2) guanosine (PubChem ID: 135398635). The significant metabolites were originated from CKF and GM on the AGE-RAGE signaling pathway in diabetic complications. The detailed information of MDA represented in Table 6 . DFT verification of key molecules and positive controls The Density Functional Theory (DFT) of key molecules and positive controls were compared with their chemical reactivity factors: energy gap (eV), hardness (ɳ), softness (S), and electronegativity (χ). Commonly, a compound to be either an acceptor or a donator can be determined by the LUMO and HOMO levels. The two key compounds suggested by this study (Equol, Dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate, and 2-amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one) represented noticeable softness values (10.025 eV, 18.248 eV, and 9.706 eV) and seems to be stable molecules, compared to a standard medicine (Orlistat). A molecule stability is determined to HOMO-LUMO energy gap and the molecule with lower energy gap is linked to its softer property, the compound(s) with the characters can be considered as the most significant agent(s) [ 29 ]. Specifically, stearic acid with positive values on both LUMO, and HOMO was removed because a positive HOMO would suggest that the physicochemical property can be ionized easily [ 30 ]. The detailed representation was depicted in Table 7 , Fig. 6 . Discussion The CKF is known as herbal source to ameliorate OB; nevertheless, its effectors are yet to be reported completely, including its promising targets, and mechanism(s). In this study, we employed GC-MS analysis to select the DRBs to be permeable in the cells. In parallel, our aim was to establish the merged representation with biomolecules from CKF and GM, which will be a new insight to clarify the specific relationships between the diet supplementation and GM. Up to date, the perspective viewpoints to demonstrate scientific evidences have been developed with data repository [ 31 ]. Thereby, we analyzed the interplay between CKF and GM in the treatment on OB with assistance of rigorous bioinformatics: SEA [ 32 ], STP [ 33 ], STRING [ 34 ], and gutMGene [ 35 ]. Moreover, based on the quantum chemical analysis, we adopted DFT theory to confirm the chemical reactivity of key molecules. The reactivity was determined by energy gap, hardness, softness, and electronegativity through LUMO and HOMO values. The stability and reactivity of molecules may be attributed to E GAP , which is a significant description to explain such as hardness, softness and electronegativity [ 36 – 39 ]. The greater of the electronegativity, the more greatly that atom attracts the shared electrons, which is an index to measure the charge transfer in a molecule [ 40 ]. DFT was employed to establish more accurate theory, suggesting that the three molecules had more stability, softness, and reactivity than a standard drug (Orlistat). In this study, we have shown the combinatorial efficacy to relieve OB on PPAR signaling pathway and AGE-RAGE signaling pathways in diabetic complications. For example, dietary mixture with 1% (weight/weight) linoleic acid for 4 weeks reduced body weight (BW) and white adipose tissue (WAT) density in mice experiment [ 41 ]. Likewise, a 1% and 1.5% (weight/weight) composition of linoleic acid for 21 days to 28 days diminished BW and WAT amount in obese mice [ 42 ]. It elicits that optimal treatment of linoleic acid might be an ameliorator for AOB. As an indole derivative, pharmacological activity of dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate is yet to be confirmed. Our study suggests that dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate might exert therapeutic effect on FABP4. As aforementioned above, linoleic acid, and dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate are effectors to activate PPAR signaling pathway due to the highest rich factor on a bubble plot. Accordingly, the biomolecules from CKF were associated with activation on PPAR signaling pathway. Next, in AGE-RAGE signaling pathway in diabetic complications, equol from GM is the most stable ligand on IL6, considering that equol might be a potent agent against OB. Our previous study clarified that equol converted by Lactobacillus paracasei JS1 can bind firmly to the active site on IL6 [ 43 ]. Additionally, our result has been shown that 2-Amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one from CKF exhibited good binding score on CDC42. Both CKF and GM were involved in dampening of AGE-RAGE signaling pathway in diabetic complications. The epidemiological evidence demonstrated that infants are subjected to obese category during breastfeeding had a decreased pattern of Enterococcus compared with observed control groups [ 44 ]. It implies that Enterococcus is a significant microbe to modulate weight, which lines up with our CGSTM networks analysis. Eubacterium limosum can covert natural polyphenols into favorable metabolites, which is a beneficial microbe to prevent OB in polyphenols-microbiota interconnections [ 45 ]. Lactobacillus paracasei to be taken 10 7 ∼10 8 Colony Forming Unit (CFU)/day for 10 weeks exerts AOB effects in an obese mice model [ 46 ]. Above mentioned, CKF, and GM is capable to alleviate OB via its orchestration in pharmacological space. The key findings are represented in Fig. 7 . The intention of utilizing biological network module was to decrypt the intricated relationships between CKF and GM. NP is a powerful methodology to identify the relationships between targets and metabolites from CKF, and GM. The application of the combined methodology has already been confirmed to diminish the error rate between interpretation of great amount of data in biological fields and its results [ 47 ]. Correspondingly, this study shows that the integrated pharmacological analysis with CKF and GM provides significant clues to uncover its nuanced relationships in the treatment on OB. The pros and cons of this study With the integrated pharmacological concept, we confirmed the therapeutic value of CKF and beneficial GM in the treatment of OB. The layout has been devised to decrypt interrelationships between CKF and GM, which is a platform mode to input new information. Also, with exactness and rigorousness, we introduced quantum chemistry theory to realize the drug-resemblance level of key compounds by comparison with a standard drug. In a way, this scenario shows that combinatorial study (bioinformatics, cheminformatics, pharmacology, microbiology, natural products chemistry, and quantum chemistry) can be beneficial to develop more significant effectors via extensive microbiome and nutrition against human disease. This setting might be a hallmark to advance further microbiome research as well as would be a new inflection point to unravel the unclarified relationships of exogenous species (diet) – endogenous species (GM) – host (human). In this report, the output obtained by the platform are significant elements to confirm the synergistic efficacy of CKF and GM against OB. On the entire viewpoint, the platform can be a significant tool to discover new findings on human diseases. In the context of it, more experimental data and its mechanistic studies are needed to obtain better interpretation of the complicated matrix between CKF and GM. Conclusion To summarize, we revealed that PPARA-linoleic acid; and FABP4-dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate from CKF on PPAR signaling pathway as agonistic mode, and IL6-equol from Lactobacillus paracasei JS1 ; and CDC42-2-amino-8-[3-d-ribofuranosyl] imidazo[1,2-a]-s-triazin-4-one from CKF on AGE-RAGE signaling pathway in diabetic complications as antagonistic mode for relieving OB. This study revealed that CKF and GM might lead to orchestrated effects against OB. In spite of the crucial findings, more pharmacokinetic and mechanistic approach are necessary to untangle the intricated microbiome atlas based on our scientific evidence that unified the therapeutic efficacy of CKF on OB, as characterized in this study. Abbreviations Anti-OBesity AOB Body Mass Index BMI Body Weight BW Colony Forming Unit CFU CKF or GM, Signaling pathways, Targets, and Molecules CGSTM Cornus kousa Fruit CKF Cornus kousa Leaves CKLs CardioVascular Diseases CVD Density Functional Theory DFT Drug-Resemblance Biomolecules DRBs Degree of Value DV Ethanolic CKF ECKF Gas Chromatography-Mass Spectrometry GC-MS Gut Microbiota GM Highest Occupied Molecular Orbital HOMO Hydrogen Bond Acceptor HBA Hydrogen Bond Donor HBD Lowest Unoccupied Molecular Orbital LUMO Molecular Docking Assay MDA Moriguchi octanol-water partition coefficient MLog P Mass Spectra MS Molecular Weight MW Network Pharmacology NP Obesity OB Protein Protein Interaction PPI Protein Protein Interaction PPI Retention Time RT Similarity Ensemble Approach SEA Similarity Ensemble Approach SEA Saturated Fatty Acid SFA Simplified Molecular Input Line Entry System SMILES SwissTargetPrediction STP SwissTargetPrediction STP Topological Polar Surface Area TPSA Unsaturated Fatty Acid UFA White Adipose Tissue WAT Declarations Supplementary Information Supplementary Table S1: The number of 343 targets from SEA; The number of 458 targets from STP; The number of 3028 targets responded to obesity; The number of 22 final targets. Acknowledgements Open access publishing facilitated by Hallym University, the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology, Korea Institute for Advancement of Technology, and Bio Industrial Technology Development Program funded by the Ministry of Trade, Industry and Energy (MOTIE, Korea). Author Contributions DJKand KTSinvestigated the project. KTS and KKO designed the study. SBL, SYL, HG, RG, SPS, SMW, and JJJcontributed the data acquisition. KKO, and SJY performed the visualization of the data. KKO, SJY, SBL, and SYL analyzed and interpreted the data. KTSand KKO drafted the manuscript. All authors have read and agreed to the published version of the manuscript. Author’s information Not applicable Funding Information This research was supported by the Hallym University Research Fund, the Basic Science Research Program through the National Research Foundation of Korea, funded by the Ministry of Education, Science and Technology (NRF-2020R1I1A3073530 and NRF-2020R1A6A1A03043026). Data availability: All data generated or analyzed during this study are included in this published article (and its Supplementary Information files). Ethics approval and consent to participate Not applicable. Consent for publication Not applicable. Competing interests The authors declare that they have no competing interests. Author details 1 Institute for Liver and Digestive Diseases, College of Medicine, Hallym University, Chuncheon 24252, Korea. References Artham SM, Lavie CJ, Milani R V., Ventura HO. Obesity and Hypertension, Heart Failure, and Coronary Heart Disease—Risk Factor, Paradox, and Recommendations for Weight Loss. The Ochsner Journal [Internet]. 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No. Databases Specification URL 1 AutoDock 1.5.6 A program for virtual screening of molecules to targets https://mybiosoftware.com/autodock-4-2-3-autodocktools-1-5-6-suite-automated-docking-tools.html 2 DisGeNET The collective repository related to human diseases https://www.disgenet.org/ 3 Gaussian 16W Computational chemistry software for DFT no available: commercial item 4 GaussView 6.0 Chemical interface program https://gaussview.software.informer.com/6.0/ 5 gutMGene The database of gut microbiota and its metabolites http://bio-annotation.cn/gutmgene 6 LigPlot++ A program to generate 2D ligand-protein interaction diagrams https://www.ebi.ac.uk/thornton-srv/software/LigPlus/download.html 7 Online Mendelian Inheritance in Man (OMIM) Human disease database associated with targets https://www.omim.org/ 8 PubChem A database of chemical information https://pubchem.ncbi.nlm.nih.gov/ 9 RCSB PDB The protein-structure based database https://www.rcsb.org/ 10 R package A software for networking visualization https://www.r-project.org/ 11 Similarity Ensemble Approach (SEA) A database to identify targets on compounds https://sea.bkslab.org/ 12 STRING A database for protein-protein interaction (PPI) networks https://string-db.org/ 13 SwissADME A database to confirm the drug-like properties http://www.swissadme.ch/ 14 SwissTargetPrediction (STP) A database to estimate the targets on biomolecules http://www.swisstargetprediction.ch/ 15 Venn Diagram Plotter Venn diagram proportional drawing tool http://www.softsea.com/review/Venn-Diagram-Plotter.html Table 2. The profiling of chemical constituents from CKF via GC-MS. No. Compounds PubChem ID RT(mins) Area(%) Classification 1 alpha.-d-Mannofuranoside, isopropyl- 537903 5.337 0.99 Carbohydrates and carbohydrate conjugates 2 2-Furanone, 3,4-dihydroxytetrahydro 536124 5.395 0.86 Gamma butyrolactones 3 Glyceraldehyde (propanal, 2,3-dihydroxy-) 751 5.712, 6.174 0.95 Carbohydrates and carbohydrate conjugates 4 Dihydromaltol (2,3-dihydro-5-hydroxy-6-methyl-4H- pyran-4-one) 6429306 6.250 0.66 Pyranones and derivatives 5 Pyrimidine-4,6-diol, 5-methyl- 581007 6.375 1.46 Pyrimidines and pyrimidine derivatives 6 2,3-Dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one 119838 6.799, 7.068 10.86 Pyranones and derivatives 7 5-Hydroxymethylfurfural 237332 7.404 30.08 Carbonyl compounds 8 2-propyl-5- oxohexanoic acid 538225 7.500, 7.606 4.30 Fatty acids and conjugates 9 6-Acetyl-.beta.-d-mannose 91691338 7.808, 8.058 1.13 Carbohydrates and carbohydrate conjugates 10 4-methylthiazol-2-ol 220936 7.866 2.24 Thiazoles 11 9-Acetoxynonanal 537145 8.154 1.09 Fatty alcohol esters 12 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate 268060 8.375 1.41 Ethers 13 3,7-Dimethyl-1-octene 21085 8.481 0.80 Unsaturated aliphatic hydrocarbons 14 4-Methoxy-2,3-dimethylbutyraldehyde 102239823 8.875 5.13 Ethers 15 Heptose 219662 8.980 2.82 Carbohydrates and carbohydrate conjugates 16 N-Acetyl-d-cycloserine 3246575 9.106 0.90 Amino acids, peptides, and analogues 17 2-Amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one 15954620 9.164 1.16 Carbohydrates and carbohydrate conjugates 18 2-Ethyl-2-hexenal 5354264 9.222 1.05 Carbonyl compounds 19 Acetamide, N-(3-methylbutyl)- 98643 9.481 2.47 Carboxylic acid derivatives 20 3-Deoxy-d-mannoic lactone 541561 9.895 13.93 Delta valerolactones 21 1-Deoxy-d-altritol 18667263 10.164 3.17 Carbohydrates and carbohydrate conjugates 22 Guanosine 135398635 10.549 0.80 Purine nucleosides 23 Palmitic Acid 985 10.722 1.78 Fatty acids and conjugates 24 (Z,Z)-Gossyplure 5363265 11.039 0.75 Fatty alcohol esters 25 Linoleic Acid 5280450 11.433 0.35 Lineolic acids and derivatives 26 Stearic Acid 5281 11.520 1.90 Fatty acids and conjugates 27 7-Pentadecyne 549063 12.116, 12.173, 12.279 0.32 Acetylenes 28 9,12-octadcadienoic acid 3931 12.693, 19.164 0.88 Lineolic acids and derivatives 29 Z,E-7,11-Hexadecadien-1-yl acetate 5363282 12.847, 12.962 1.20 Fatty alcohol esters 30 2-Chloroethyl linoleate 5365671 13.164, 13.250, 13.289, 13.548, 13.654 3.80 Lineolic acids and derivatives 31 Dimethyl 2,3-bis(1,3-dimethylindol-2-yl)fumarate 129854768 16.683 0.28 Indoles RT: Retention Time Table 3. The physicochemical properties of chemical constituents. No. Compounds Lipinski Rules Lipinski's Violations Bioavailability Score TPSA(Ų) MW HBA HBD MLog P < 500 0.1 <140 1 alpha.-d-Mannofuranoside, isopropyl- 222.24 6 4 -1.75 0 0.55 99.38 2 2-Furanone, 3,4-dihydroxytetrahydro 118.09 4 2 -1.64 0 0.55 66.76 3 Glyceraldehyde (propanal, 2,3-dihydroxy-) 90.08 3 2 -1.66 0 0.55 57.53 4 Dihydromaltol (2,3-dihydro-5-hydroxy-6-methyl-4H- pyran-4-one) 128.13 3 1 -0.92 0 0.85 46.53 5 Pyrimidine-4,6-diol, 5-methyl- 126.11 3 2 -0.85 0 0.55 65.98 6 2,3-Dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one 144.13 4 2 -1.77 0 0.85 66.76 7 5-Hydroxymethylfurfural 126.11 3 1 -1.06 0 0.55 50.44 8 2-propyl-5- oxohexanoic acid 172.22 3 1 1.29 0 0.85 54.37 9 6-Acetyl-.beta.-d-mannose 222.19 7 4 -2.2 0 0.55 116.45 10 4-methylthiazol-2-ol 115.15 1 1 -0.16 0 0.55 61.10 11 9-Acetoxynonanal 200.27 3 0 1.88 0 0.55 43.37 12 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate 198.22 4 0 0.76 0 0.55 44.76 13 3,7-Dimethyl-1-octene 140.27 0 0 4.68 1 0.55 0.00 14 4-Methoxy-2,3-dimethylbutyraldehyde 130.18 2 0 0.81 0 0.55 26.30 15 Heptose 210.18 7 6 -3.36 1 0.55 138.45 16 N-Acetyl-d-cycloserine 144.13 3 2 -1.35 0 0.55 67.43 17 2-Amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one 283.24 7 4 -2.76 0 0.55 148.13 18 2-Ethyl-2-hexenal 126.20 1 0 1.97 0 0.55 17.07 19 Acetamide, N-(3-methylbutyl)- 129.20 1 1 1.22 0 0.55 29.10 20 3-Deoxy-d-mannoic lactone 162.14 5 3 -1.68 0 0.55 86.99 21 1-Deoxy-d-altritol 166.17 5 5 -1.95 0 0.55 101.15 22 Guanosine 283.24 7 5 -2.76 0 0.55 159.51 23 Palmitic Acid 256.42 2 1 4.19 1 0.85 37.30 24 (Z,Z)-Gossyplure 280.45 2 0 4.47 1 0.55 26.30 25 Linoleic Acid 280.45 2 1 4.47 1 0.85 37.30 26 Stearic Acid 284.48 2 1 4.67 1 0.85 37.30 27 7-Pentadecyne 208.38 0 0 6.04 1 0.55 0.00 28 9,12-octadcadienoic acid 280.45 2 1 4.47 1 0.85 37.30 29 Z,E-7,11-Hexadecadien-1-yl acetate 280.45 2 0 4.47 1 0.55 26.30 30 2-Chloroethyl linoleate 342.94 2 0 5.15 1 0.55 26.30 31 Dimethyl 2,3-bis(1,3-dimethylindol-2-yl)fumarate 430.50 4 0 3.01 0 0.55 62.46 MW: Molecular Weight; HBA: Hydrogen Bond Acceptor; HBD: Hydrogen Bond Donor; MLog P: Moriguchi octanol-water partition coefficient; TPSA: Topological Polar Surface Area. Table 4. The degree of value (DV) in PPI networks. No. Target name Degree of value 1 IL6 12 2 PPARG 8 3 PPARA 7 4 VEGFA 7 5 CNR1 6 6 AKR1B1 5 7 TRPV1 5 8 CDC42 4 9 FABP4 4 10 CNR2 3 11 FFAR4 3 12 EHMT1 2 13 RAC1 2 14 PPARD 2 15 ADA 1 16 ENPP2 1 17 BCAT2 1 18 KDM4C 1 Table 5. The targets of key signaling pathways on OB. KEGG ID & Description Target False discovery rate hsa03320: PPAR signaling pathway PPARA, PPARD, PPARG, FABP4 0.00057 hsa04933: AGE-RAGE signaling pathway in diabetic complications IL6, VEGFA, CDC42 0.03210 Table 6. The detailed information of MDA. Grid box Hydrogen Bond Interactions Hydrophobic Interactions Protein Ligand PubChem ID Binding energy (kcal/mol) Center Dimension PPARA (PDB ID: 3SP6) linoleic acid 5280450 -6.0 x=8.006 size_x = 40 Met320, Met220 Phe218,Asn219,Gly335 y=-0.459 size_y = 40 Tyr334,Leu331,Val332 z=23.392 size_z = 40 Il2901,Thr279,Val324 Leu321,Thr283 stearic acid 5281 -5.7 x=8.006 size_x = 40 n/a Gln442,Asp353,Leu413 y=-0.459 size_y = 40 His440,Glu439,Leu436 z=23.392 size_z = 40 Asp432,Phe361,Lys358 Pro357,Ile446 2-propyl-5-oxohexanoic acid 538225 -5.6 x=8.006 size_x = 40 Tyr334,Thr283,Asn219 Gly335,Leu331,Thr279 y=-0.459 size_y = 40 Val324,Met220,Leu321 z=23.392 size_z = 40 Met320,Val332 heptose 219662 -5.6 x=8.006 size_x = 40 Thr283,Met220,Tyr334 Phe218,Glu286,Thr279 y=-0.459 size_y = 40 Asn219 Val332 z=23.392 size_z = 40 3,7-dimethyl-1-octene 21085 -5.2 x=8.006 size_x = 40 n/a Met320,Leu321,Val324 y=-0.459 size_y = 40 Met220,Leu331,Il2901 z=23.392 size_z = 40 Thr283,Ile317 palmitic acid 985 -4.9 x=8.006 size_x = 40 n/a Val332,Ile241,IL2901 y=-0.459 size_y = 40 Ala333,Thr279,Val255 z=23.392 size_z = 40 Tyr334,Leu258,Cys275 Ala250,Leu254,Glu251 9,12-octadecadienoic acid 3931 -4.0 x=8.006 size_x = 40 n/a Thr697,Thr285,Lys692 y=-0.459 size_y = 40 His457,Val281,Leu459 z=23.392 size_z = 40 Leu689,Leu693,Glu289 Ala696 PPARG (PDB ID: 3E00) 10-keto-12z-octadecenoic acid 24970825 -5.7 x=39.265 size_x = 40 Glu343 Ser342,Ile341,Leu228 y=-18.736 size_y = 40 Met329,Pro227,Glu295 z=119.392 size_z = 40 Glu291,Arg288 linoleic Acid 5280450 -5.3 x=39.265 size_x = 40 Thr162,Leu167 Asp166,Lys336,Glu369 y=-18.736 size_y = 40 Val372,Arg350,Glu351 z=119.392 size_z = 40 Gln193,Lys354,Arg202 palmitic Acid 985 -5.1 x=39.265 size_x = 40 Glu291,Arg288 Glu343,Leu333,Leu330 y=-18.736 size_y = 40 Leu228,Met329,Ala292 z=119.392 size_z = 40 Ile326,Glu295 2-chloroethyl linoleate 5365671 -5.0 x=39.265 size_x = 40 Gln451 Phe437,Leu433,Lys367 y=-18.736 size_y = 40 Leu452,Pro366,Asp362 z=119.392 size_z = 40 His49,Glu448,Glu434 stearic acid 5281 -5.0 x=39.265 size_x = 40 n/a Lys157,Glu207,Gln206 y=-18.736 size_y = 40 Arg164,Val163,Ala376 z=119.392 size_z = 40 Arg234,Val372,Asn375 Lys336,Arg202,Glu203 9,12-octadecadienoic acid 3931 -5.0 x=39.265 size_x = 40 Leu430,Gln451 Glu434,Phe437,Leu452 y=-18.736 size_y = 40 Asp362,Glu448,Val455 z=119.392 size_z = 40 Leu433 FABP4 (PDB ID: 3P6D) dimethyl 2,3-bis(1,3-dimethylindol-2-yl)fumarate 129854768 -6.7 x=7.693 size_x = 40 Lys120 Gly121,Thr103,Val94 y= 9.921 size_y = 40 Ser101,Thr102,Val118 z=14.698 size_z = 40 heptose 219662 -5.6 x=7.693 size_x = 40 Ile51,Thr60,Arg106 Gln95,His93,Ala75 y= 9.921 size_y = 40 Thr74,Lys52,Ser53 z=14.698 size_z = 40 Met40,Glu72,Ile104 stearic acid 5281 -5.5 x=7.693 size_x = 40 n/a Gly46,Cys1,Leu86 y= 9.921 size_y = 40 Asp47,Met0,Ser1 z=14.698 size_z = 40 Leu66 2-chloroethyl linoleate 5365671 -5.2 x=7.693 size_x = 40 Gly88 Gly46,Leu66,Ile49 y= 9.921 size_y = 40 Met0,Asp87,Leu86 z=14.698 size_z = 40 Ser1,Cys1,Asp47 linoleic Acid 5280450 -4.9 x=7.693 size_x = 40 Leu86 Thr85,Leu66,Asp47 y= 9.921 size_y = 40 Cys1,Gly46,Ser1 z=14.698 size_z = 40 Met0 palmitic Acid 985 -4.4 x=7.693 size_x = 40 Glu72,Val80 Lys79,Asp71,Val73 y= 9.921 size_y = 40 Glu61,Thr60 z=14.698 size_z = 40 2-propyl-5-oxohexanoic acid 538225 -4.4 x=7.693 size_x = 40 Thr56 Phe57,Met35,Val32 y= 9.921 size_y = 40 z=14.698 size_z = 40 9,12-octadecadienoic acid 3931 -4.3 x=7.693 size_x = 40 Asp47 Met0,Cys1,Ser1 y= 9.921 size_y = 40 Leu86,Thr85,Leu66 z=14.698 size_z = 40 IL6 (PDB ID: 4NI9) equol 91469 -7.4 x=11.213 size_x = 40 Glu110,Asp34,Tyr31 Gln111,Gly35,Ala114 y=33.474 size_y = 40 z=11.162 size_z = 40 3-indolepropionic acid 3744 -7.2 x=11.213 size_x = 40 Arg16 Pro18,Gln17 y=33.474 size_y = 40 z=11.162 size_z = 40 3-deoxy-d-mannoic lactone 541561 -6.3 x=11.213 size_x = 40 n/a n/a y=33.474 size_y = 40 z=11.162 size_z = 40 linoleic acid 5280450 -5.0 x=11.213 size_x = 40 Lys39 Glu81,Pro80,Ser168 y=33.474 size_y = 40 Phe83,Glu105,Leu104 z=11.162 size_z = 40 Gln166,Lys103,Glu165 Pro40,Ile106 9,12-octadecadienoic acid 3931 -4.8 x=11.213 size_x = 40 Glu110 Glu110,Tyr31,Ala114 y=33.474 size_y = 40 z=11.162 size_z = 40 butyrate 104775 -4.4 x=11.213 size_x = 40 n/a n/a y=33.474 size_y = 40 z=11.162 size_z = 40 acetate 175 -3.8 x=11.213 size_x = 40 n/a Arg16 y=33.474 size_y = 40 z=11.162 size_z = 40 trimethylamine oxide 1145 -3.6 x=11.213 size_x = 40 n/a n/a y=33.474 size_y = 40 z=11.162 size_z = 40 propionate 104745 -3.5 x=11.213 size_x = 40 Ser194,Ser114,Ser193 Pro192,Asn137,Ser141 y=33.474 size_y = 40 z=11.162 size_z = 40 VEGFA (PDB ID:3P9W) alpha.-d-mannofuranoside, isopropyl- 537903 -5.9 x=-12.652 size_x = 40 Asp63,Asn62,Glu64 Ile83,Asp63,His86 y=70.481 size_y = 40 Ile46 z=-40.286 size_z = 40 6-acetyl-.beta.-d-mannose 91691338 -5.8 x=-12.652 size_x = 40 Glu64,Asn62,Asp63 Pro85,Ile46,Ile83 y=70.481 size_y = 40 Asp63,Ile46,Asn62 z=-40.286 size_z = 40 2-chloroethyl linoleate 5365671 -5.4 x=-12.652 size_x = 40 n/a Glu64,Ile83,Ile46 y=70.481 size_y = 40 His86,Phe36,Glu64 z=-40.286 size_z = 40 Pro85 CDC42 (PDB ID: 3GCG) 2-amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one 15954620 -6.8 x=-12.652 size_x = 40 Lys107,Lys104,Pro34 Val33,Gly15,Lys16 y=70.481 size_y = 40 Thr17,Gly60 Ala59,Gly12,Glu62 z=-40.286 size_z = 40 Ala13,Thr35,Asn125 guanosine 135398635 -6.7 x=-12.652 size_x = 40 Lys104,Lys107,Gly60 Thr35,Asn125,Ala59 y=70.481 size_y = 40 Gly62,Thr17 Lys16,Gly12,Ala13 z=-40.286 size_z = 40 Pro34,Val33 Table 7. The parameters of quantum kinetics of key compounds and a standard drug. Molecules LUMO HOMO E GAP (eV) ɳ (eV) S (eV) χ (eV) Orlistat (*) - 0.0257 - 0.2645 - 0.2388 0.1194 8.3766 - 0.1194 Linoleic acid - 0.0082 - 0.2355 - 0.2272 0.1136 8.8017 - 0.1136 2-amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one - 0.0257 - 0.2318 - 0.2061 0.1030 9.7059 - 0.1030 Equol - 0.0097 - 0.2092 - 0.1995 0.0998 10.0246 - 0.0998 Dimethyl 2,3-bis(1,3-dimethylindol-2-yl)fumarate - 0.0811 - 0.1907 - 0.1096 0.0548 18.2482 - 0.0548 (*): Anti-obesity standard drug Supplementary Files Supplementary Table S1 is not available with this version. Additional Declarations No competing interests reported. Cite Share Download PDF Status: Posted Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-2842996","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":194093227,"identity":"a8ecad73-790c-49e1-bcf9-9a72307ef4f6","order_by":0,"name":"Ki-Kwang Oh","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Ki-Kwang","middleName":"","lastName":"Oh","suffix":""},{"id":194093228,"identity":"688b8917-5900-49ce-b104-559c70bd6712","order_by":1,"name":"Sang-Jun Yoon","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Sang-Jun","middleName":"","lastName":"Yoon","suffix":""},{"id":194093229,"identity":"6f0313fd-f062-48e7-af82-09bd30ce1f3f","order_by":2,"name":"Su-Been Lee","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Su-Been","middleName":"","lastName":"Lee","suffix":""},{"id":194093230,"identity":"61c02a24-cc50-4ae8-ad59-ad1dfbfd6b9a","order_by":3,"name":"Sang Youn Lee","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Sang","middleName":"Youn","lastName":"Lee","suffix":""},{"id":194093231,"identity":"b64c14dc-2e19-4ee8-a303-ebdf0ea9d047","order_by":4,"name":"Haripriya Gupta","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Haripriya","middleName":"","lastName":"Gupta","suffix":""},{"id":194093232,"identity":"d2476c5c-96a6-4734-9752-08705133eaf6","order_by":5,"name":"Raja Ganesan","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Raja","middleName":"","lastName":"Ganesan","suffix":""},{"id":194093233,"identity":"2ee7ce5a-3953-4aa4-8e00-137bec4ed096","order_by":6,"name":"Satya Priya Sharma","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Satya","middleName":"Priya","lastName":"Sharma","suffix":""},{"id":194093234,"identity":"5305ae51-d185-4682-b56c-1b8670c9d300","order_by":7,"name":"Sung-Min Won","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Sung-Min","middleName":"","lastName":"Won","suffix":""},{"id":194093235,"identity":"8c08ac85-438d-40f7-aeb0-bd785669a9b9","order_by":8,"name":"Jin-Ju Jeong","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Jin-Ju","middleName":"","lastName":"Jeong","suffix":""},{"id":194093236,"identity":"29d8a723-8faa-4772-af7c-d9ea2040f697","order_by":9,"name":"Dong Joon Kim","email":"","orcid":"","institution":"Hallym University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Dong","middleName":"Joon","lastName":"Kim","suffix":""},{"id":194093237,"identity":"9dbe77aa-0f64-4b37-889f-4a4be93cd93c","order_by":10,"name":"Ki-Tae Suk","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA10lEQVRIiWNgGAWjYBACCSBmbKg4wMDHjiSCXwsbSMuZAwxszCRpaWwjRYvk/PZnkjPn3ZFnY+Yx3cBQY8cgOfsAfi3SbDxmkhu3PTNsY+Yxu8FwLJlBmi8BvxY5Nh42yYfbDjNCtLAdYJDjIeAwOTb2Z5IP5xy2h2j5R4QWaTYGoMMaDieCtTC2HWCQJqRFsi3H2HLGscPJbcxsZTcS+5J5JHsIaJE4fPzhzZ6aw7b97M3bbnz4ZicncYaAFiTAYcCQwMBAyFkogP0BKapHwSgYBaNgBAEAbvA7F2UgB6YAAAAASUVORK5CYII=","orcid":"","institution":"Hallym University","correspondingAuthor":true,"submittingAuthor":false,"prefix":"","firstName":"Ki-Tae","middleName":"","lastName":"Suk","suffix":""}],"badges":[],"createdAt":"2023-04-20 23:59:12","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-2842996/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-2842996/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":36298861,"identity":"388ee5fd-a661-483f-8176-48366e03c454","added_by":"auto","created_at":"2023-04-25 23:40:34","extension":"jpeg","order_by":1,"title":"Figure 1","display":"","copyAsset":false,"role":"figure","size":339476,"visible":true,"origin":"","legend":"\u003cp\u003eThe workflow of this study.\u003c/p\u003e","description":"","filename":"floatimage1.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-2842996/v1/45bb2d769751901b9d8ac173.jpeg"},{"id":36299733,"identity":"6e3011f7-ba81-4a14-a240-1a198531ab4b","added_by":"auto","created_at":"2023-04-25 23:56:34","extension":"png","order_by":2,"title":"Figure 2","display":"","copyAsset":false,"role":"figure","size":184673,"visible":true,"origin":"","legend":"\u003cp\u003e(A) The picture of CKF. (B) GC-MS chromatography of CKF.\u003c/p\u003e","description":"","filename":"F2.png","url":"https://assets-eu.researchsquare.com/files/rs-2842996/v1/ece6f52ef069565d8b149d00.png"},{"id":36299556,"identity":"a2cf8f1b-7ef5-49af-b45d-9a821bcd42e5","added_by":"auto","created_at":"2023-04-25 23:48:34","extension":"png","order_by":3,"title":"Figure 3","display":"","copyAsset":false,"role":"figure","size":178447,"visible":true,"origin":"","legend":"\u003cp\u003e(A) The number of 45 targets between SEA (343) and STP (458).\u003c/p\u003e\n\u003cp\u003e(B) The number of 22 final targets between 45 targets and OB-responded targets (3028).\u003c/p\u003e\n\u003cp\u003e(C) The PPI networks (18 nodes and 37 edges)\u003c/p\u003e\n\u003cp\u003e(D) A bubble plot of occurrence and development on OB.\u003c/p\u003e","description":"","filename":"F3.png","url":"https://assets-eu.researchsquare.com/files/rs-2842996/v1/302635b7de3c57df4f56a967.png"},{"id":36298867,"identity":"2a4838e3-e071-45ca-bfc1-e5da0af876eb","added_by":"auto","created_at":"2023-04-25 23:40:34","extension":"png","order_by":4,"title":"Figure 4","display":"","copyAsset":false,"role":"figure","size":191663,"visible":true,"origin":"","legend":"\u003cp\u003eCGSTM networks (42 nodes, and 59 edges). Red text: metabolites from GM.\u003c/p\u003e","description":"","filename":"F4.png","url":"https://assets-eu.researchsquare.com/files/rs-2842996/v1/ef510f8fdee52d3255054104.png"},{"id":36298864,"identity":"192a493b-b646-42d2-83bd-4bf1a34a64ba","added_by":"auto","created_at":"2023-04-25 23:40:34","extension":"png","order_by":5,"title":"Figure 5","display":"","copyAsset":false,"role":"figure","size":720874,"visible":true,"origin":"","legend":"\u003cp\u003eMolecular docking conformation on key targets.\u003c/p\u003e\n\u003cp\u003e(A) PPARA-linoleic acid.\u003c/p\u003e\n\u003cp\u003e(B)FABP4- dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate.\u003c/p\u003e\n\u003cp\u003e(C) IL6-Equol.\u003c/p\u003e\n\u003cp\u003e(D) CDC42-2-amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one.\u003c/p\u003e","description":"","filename":"F5.png","url":"https://assets-eu.researchsquare.com/files/rs-2842996/v1/5210e1e3390f50f0cf8b6522.png"},{"id":36298866,"identity":"4a3c4229-2291-4123-b6c9-a3679a76be4f","added_by":"auto","created_at":"2023-04-25 23:40:34","extension":"png","order_by":6,"title":"Figure 6","display":"","copyAsset":false,"role":"figure","size":305629,"visible":true,"origin":"","legend":"\u003cp\u003eMolecular orbital energy description and their energy gap of key molecules from CKF, GM and a standard drug (Orlistat). Green color orbitals: electrophilic groups; Red color orbitals: nucleophilic groups.\u003c/p\u003e","description":"","filename":"F6.png","url":"https://assets-eu.researchsquare.com/files/rs-2842996/v1/f8febf34e8565043899ed750.png"},{"id":36299558,"identity":"dc78f748-e92f-4a02-a10e-64443d5ae96c","added_by":"auto","created_at":"2023-04-25 23:48:34","extension":"png","order_by":7,"title":"Figure 7","display":"","copyAsset":false,"role":"figure","size":738480,"visible":true,"origin":"","legend":"\u003cp\u003eThe key findings of this study.\u003c/p\u003e","description":"","filename":"F7.png","url":"https://assets-eu.researchsquare.com/files/rs-2842996/v1/aad1d15fd379ba54a3881d19.png"},{"id":37488920,"identity":"304573a2-f487-4269-82d1-4c5abaaf41c2","added_by":"auto","created_at":"2023-05-25 13:59:36","extension":"pdf","order_by":0,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":2705574,"visible":true,"origin":"","legend":"","description":"","filename":"manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-2842996/v1/e186fcb2-f3d8-42cd-a013-a12343942bae.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"The orchestration of Cornus kousa fruit and gut microbiota for anti- obesity via integrated pharmacological analysis based on metabolomics","fulltext":[{"header":"Background","content":"\u003cp\u003eObesity (OB) influences negatively on diverse metabolic disorders such as cardiovascular diseases (CVD), diabetes, hypertension, heart failure, which accounts for around one-fifth of cancer types [\u003cspan citationid=\"CR1\" class=\"CitationRef\"\u003e1\u003c/span\u003e, \u003cspan citationid=\"CR2\" class=\"CitationRef\"\u003e2\u003c/span\u003e]. In 2014, more than 2\u0026nbsp;billion people, approximately one-third of the world population were overweight or around 5% of mortality is liable to OB [\u003cspan citationid=\"CR3\" class=\"CitationRef\"\u003e3\u003c/span\u003e]. OB is represented by excessive accumulation of fat in the tissue, leading unbalanced energy, inappropriate secretion of appetite hormones, and insulin resistance [\u003cspan citationid=\"CR4\" class=\"CitationRef\"\u003e4\u003c/span\u003e]. BMI (Body Mass Index) is a criteria to assess OB, its clinical standard is more than 30.0 or higher [\u003cspan citationid=\"CR5\" class=\"CitationRef\"\u003e5\u003c/span\u003e]. The most significant therapeutics for anti-obesity (AOB) is to block the absorption of lipid in the body tissue, furthermore, to dampen the decomposition and transportation of fat via metabolic pathways [\u003cspan citationid=\"CR6\" class=\"CitationRef\"\u003e6\u003c/span\u003e]. Up to now, five representative medications (Orlistat, Phentermine/topiramate, Naltrexon/bupropion, Liraglutide, and Lorcaserin) against OB have been taken to alleviate its pathophysiological mechanism in spite of some side effects (insomnia, anxiety, depression, diarrhea, and vomiting) [\u003cspan citationid=\"CR7\" class=\"CitationRef\"\u003e7\u003c/span\u003e]. At present, a therapeutic strategy to diminish the adverse effects might be an optimal selective for the obese. For the past decade years, natural products have been increasingly significant therapeutic resource for the alleviation in OB due to its low negative side effects [\u003cspan citationid=\"CR8\" class=\"CitationRef\"\u003e8\u003c/span\u003e]. In recent years, the ethanolic fraction of \u003cem\u003eCornus kousa\u003c/em\u003e leaves (CKLs) exerted potent AOB efficacy by downregulating adipogenesis and lipogenesis in 3T3- L1 cells [\u003cspan citationid=\"CR9\" class=\"CitationRef\"\u003e9\u003c/span\u003e]. Commonly, leaves and fruits possess in the majority of chemical constituents, however, fruits comprised more notable chemical compounds and contained higher chemo-diversity [\u003cspan citationid=\"CR10\" class=\"CitationRef\"\u003e10\u003c/span\u003e]. Thus, we aimed to elucidate the therapeutic value on \u003cem\u003eCornus kousa\u003c/em\u003e fruit (CKF) in the treatment of OB. The AOB effects of herbal organic compounds are mediated by synchronizing lipolysis, and lipogenesis [\u003cspan citationid=\"CR11\" class=\"CitationRef\"\u003e11\u003c/span\u003e]. However, during the past decades, bona fide efficacy of the natural products has been controversial although noticeable progression has been advanced in treating OB on herbal remedy [\u003cspan citationid=\"CR12\" class=\"CitationRef\"\u003e12\u003c/span\u003e]. Also, its exact pharmacological mechanisms against OB are yet to be determined.\u003c/p\u003e \u003cp\u003eFrom another viewpoint, GM played important role to alleviate OB and therefore commensal bacteria modulate numerous genes to improve immune system [\u003cspan citationid=\"CR13\" class=\"CitationRef\"\u003e13\u003c/span\u003e, \u003cspan citationid=\"CR14\" class=\"CitationRef\"\u003e14\u003c/span\u003e]. Most recently, the diversity of GM had favorable therapeutic effects on humans and animal models in OB [\u003cspan citationid=\"CR15\" class=\"CitationRef\"\u003e15\u003c/span\u003e]. A report demonstrated that GM-derived metabolites (amino acids, lipid-like compounds, and bile acid derivatives, or byproducts of carnitine, choline, polyphenols, and purines) involved in metabolic disorders of OB, along with insulin resistance, hyperglycemia, and dyslipidemia [\u003cspan citationid=\"CR16\" class=\"CitationRef\"\u003e16\u003c/span\u003e]. According to study done to date, it elicits that metabolites from GM could be useful agents in ameliorating OB.\u003c/p\u003e \u003cp\u003eCollectively, we firstly integrated chemical constituents of CKF and metabolites of GM to investigate the combination efficacy in the treatment on OB. With a bird\u0026rsquo;s eye view, we postulated that integrative application of natural compounds of CKF, and metabolites of GM can facilitate the alleviative efficacy for AOB.\u003c/p\u003e \u003cp\u003eIt is imperative to utilize the network pharmacology (NP) concept to elucidate its combinatorial effects concerning OB. NP can unravel the biological mechanisms(s) of key effectors with extensive concept, which defined as the paradigm shift from \u0026ldquo;one target, one ligand, one disease\u0026rdquo; to \u0026ldquo;network-integrated-multi component therapeutics\u0026rdquo; [\u003cspan citationid=\"CR17\" class=\"CitationRef\"\u003e17\u003c/span\u003e, \u003cspan citationid=\"CR18\" class=\"CitationRef\"\u003e18\u003c/span\u003e]. Additionally, the progressive development of bioinformatics, system biology, and cheminformatics is an emerging trend to discover new agents or repurpose existing drugs [\u003cspan citationid=\"CR19\" class=\"CitationRef\"\u003e19\u003c/span\u003e]. Noticeably, NP methodology might be a powerful tool to decode promising new drugs to dampen metabolic disorders, including AOB [\u003cspan citationid=\"CR20\" class=\"CitationRef\"\u003e20\u003c/span\u003e]. From this perspective, we devised new method and concept to reveal AOB effects via combination of compounds from CKF and metabolites from GM. Firstly, chemical constituents from CKF were detected by Gas Chromatography-Mass Spectrum (GC-MS) and evaluated the drug-resemblance properties by Lipinski\u0026rsquo;s rule. The targets related to the chemical compounds were retrieved by Similarity Ensemble Approach (SEA) and SwissTargetPrediction (STP), the intersecting targets of which were identified by Venn diagram plotter. Secondly, OB-responded targets were sorted by public bioinformatics and filtered the final targets from the intersecting targets. The final overlapping targets are elements to analyze protein protein interaction (PPI) networks and a bubble plot. Thirdly, we utilized the GM database as to its metabolites and constructed relationships of CKF or GM, signaling pathways, targets, and molecules (CGSTM). Then, we performed molecular docking assay (MDA) to verify key compound(s) on key target(s) in key signaling pathway(s). Finally, Density Functional Theory (DFT) was conducted to verify the chemical stability and reactivity of the key targets in this study. The stepwise processing of this study is described in Fig.\u0026nbsp;\u003cspan refid=\"Fig4\" class=\"InternalRef\"\u003e1\u003c/span\u003e.\u003c/p\u003e "},{"header":"Methods","content":"\u003cdiv id=\"Sec2\" class=\"Section2\"\u003e \u003cdiv id=\"Sec3\" class=\"Section3\"\u003e \u003ch2\u003eThe collection and extraction of CKF\u003c/h2\u003e \u003cp\u003e \u003cem\u003eCornus kousa\u003c/em\u003e fruit (CKF) (Fig.\u0026nbsp;\u003cspan refid=\"Fig5\" class=\"InternalRef\"\u003e2\u003c/span\u003eA) were collected from (latitude: 37.52, longitude:128.29) Kangwon-do, Korea, in October 2022. The CKF was dried in a shaded room with air ventilator maintaining 20\u0026ndash;22 ℃ for 3 weeks, and its seeds were removed from the dried CKF. The CKF removed seeds pulverized with blender. Around 30 g of CKF powder was extracted with 500ml ethyl alcohol (Samchun, Korea, Seoul) for 2 weeks and repeated three times to obtain higher yield rate. The ethyl alcohol extract was collected, used Whatman filter paper No. 1 (Whatman, Model no. WF1-1850, UK Maidstone), and evaporated with a vacuum evaporator (IKA- RV8, Staufen city, Germany) at 40\u0026deg;C. The extraction amount after evaporating was 7.78 g (yield rate: 25.9%), which was calculated as below formula:\u003c/p\u003e \u003cp\u003eYield rate (%) = (Evaporated extraction weight/Dried CKF weight) \u0026times; 100\u003c/p\u003e \u003c/div\u003e \u003c/div\u003e \u003cdiv id=\"Sec4\" class=\"Section2\"\u003e \u003ch2\u003eThe GC-MS analysis condition\u003c/h2\u003e \u003cp\u003eWe employed Agilent 7890A (Agilent, Santa Clara, CA, USA) to conduct for GC\u0026ndash;MS, its column was selected as DB-5 (30 m \u0026times; 0.25 mm \u0026times; 0.25 \u0026micro;m) (Agilent, Santa Clara, CA, USA) with reverse phase. The GC\u0026ndash;MS was kept at 100\u0026deg;C for 2.1 min, rising gradually to 300\u0026deg;C at a rate of 25\u0026deg;C/min and was maintained for 20 min. Injection port temperature was 250\u0026deg;C and helium flow rate was 1.5 mL/min, and the ionization voltage was 70 eV. The split mode of sample injection was at 10:1 and the Mass Spectra (MS) detection range consisted of 35\u0026ndash;900 (m/z). The fragmentation modes of MS were compared with the W8N05ST Library MS database (analyzed 13 January 2023).\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec5\" class=\"Section2\"\u003e \u003ch2\u003eThe utilization of the web-accessible public databases\u003c/h2\u003e \u003cp\u003eThe rapid development of public databases\u0026rsquo; technologies, including bioinformatics, and cheminformatics, provides a great amount of data produced that is in gradual improvement in diverse research fields. To be utilized the significant bio databases in drug discovery or development is a powerful analytical technology. Specifically, we merged the important databases to cull the valuable components in intricated microbiome research. We categorized the accessible database repositories in Table\u0026nbsp;\u003cspan refid=\"Tab1\" class=\"InternalRef\"\u003e1\u003c/span\u003e.\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec6\" class=\"Section2\"\u003e \u003ch2\u003eIdentification of chemical compounds in CKF and filtering of drug-resemblance biomolecules\u003c/h2\u003e \u003cp\u003eThe chemical compounds in CKF were identified by GC-MS analysis, converting into Simplified Molecular Input Line Entry System (SMILES) format via PubChem (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://pubchem.ncbi.nlm.nih.gov/\u003c/span\u003e\u003cspan address=\"https://pubchem.ncbi.nlm.nih.gov/\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e) (accessed on 19 February 2023). Then, we employed Lipinski\u0026rsquo;s rule to screen drug-resemblance biomolecules (DRBs) through SwissADME (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://www.swissadme.ch/\u003c/span\u003e\u003cspan address=\"http://www.swissadme.ch/\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e) (accessed on 19 February 2023). As a criterion of cell permeability, we adopted topological polar surface area (TPSA) value with less than 140 \u0026Aring;\u003csup\u003e2\u003c/sup\u003e (a threshold) [\u003cspan citationid=\"CR21\" class=\"CitationRef\"\u003e21\u003c/span\u003e].\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec7\" class=\"Section2\"\u003e \u003ch2\u003eTargets associated with DRBs from CKF or OB\u003c/h2\u003e \u003cp\u003eThe targets related to DRBs were browsed by Similarity Ensemble Approach (SEA) [\u003cspan citationid=\"CR22\" class=\"CitationRef\"\u003e22\u003c/span\u003e], SwissTargetPrediction (STP) [\u003cspan citationid=\"CR23\" class=\"CitationRef\"\u003e23\u003c/span\u003e] on \u0026ldquo;Homo Sapiens\u0026rdquo; mode. The relationship between targets and DRBs was constructed by utilizing the two databases, which confirmed its effectiveness through experimentation: Approximately 80% out of drug candidates line up with SEA database, additionally, the significant targets on Cudraflavone C were sorted by STP, its bioactivities were confirmed by experiment [\u003cspan citationid=\"CR24\" class=\"CitationRef\"\u003e24\u003c/span\u003e, \u003cspan citationid=\"CR25\" class=\"CitationRef\"\u003e25\u003c/span\u003e]. The targets related to DRBs were identified by DisGeNET (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://www.disgenet.org/\u003c/span\u003e\u003cspan address=\"https://www.disgenet.org/\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e) (accessed on 20th February 2023) and OMIM (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://www.omim.org/\u003c/span\u003e\u003cspan address=\"https://www.omim.org/\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e) (accessed on 20th February 2023). The final intersecting targets between sorted DRBs-associated targets and OB-responded targets were established and visualized via Venn diagram plotter.\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec8\" class=\"Section2\"\u003e \u003ch2\u003eThe protein-protein-interaction (PPI) networks and a bubble chart\u003c/h2\u003e \u003cp\u003eThe PPI networks were constructed to discern what the most significant target is among intersecting targets. We adopted STRING (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://string-db.org/\u003c/span\u003e\u003cspan address=\"https://string-db.org/\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e) (accessed on 21th February 2023) database for the PPI construction and a bubble chart was plotted by R package. The bubble chart was built by rich factor defined as the number of differentially expressing targets annotated in each pathway [\u003cspan citationid=\"CR26\" class=\"CitationRef\"\u003e26\u003c/span\u003e]. Based on the bubble chart, we could identify an activating signaling pathway and an inhibitive signaling pathway. Hence, we considered as key mechanisms in the treatment of OB.\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec9\" class=\"Section2\"\u003e \u003ch2\u003eThe CKF or GM─Signaling pathways─Targets─Metabolites (CGSTM) networks\u003c/h2\u003e \u003cp\u003eWe employed gutMGene database to incorporate the metabolites of GM, thereby, assembled merged networks, defining as CKF or GM─Signaling pathways─Targets─Metabolites (CGSTM) networks. The CGSTM networks were constructed as a map, based on degree of value (DV). In the incorporated networks, taking CKF or GM, signaling pathways, targets, and metabolites as nodes, its relationships were indicated as edges. The green circles represented GM, red circles stood for signaling pathways, orange circles indicated targets, and purple circles described metabolites. Then, the gray line indicated its relationships and the metabolites from GM represented with red color text. The integrated CGSTM networks were plotted by R Package.\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec10\" class=\"Section2\"\u003e \u003ch2\u003eThe verification for molecular docking assay (MDA)\u003c/h2\u003e \u003cp\u003eWe performed the MDA to select the uppermost biomolecule(s) from two key signaling pathways. Based on MDA, we can identify what the most significant metabolite(s) are stemmed from either GM or CKF. The targets were retrieved by RCSB PDB (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://www.rcsb.org/\u003c/span\u003e\u003cspan address=\"https://www.rcsb.org/\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e) (accessed on 22th February 2023). The extracted .pdb format was transformed into .pdbqt format via Autodock tool (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://autodock.scripps.edu/\u003c/span\u003e\u003cspan address=\"https://autodock.scripps.edu/\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e) (accessed on 22th July 2023) to perform the MDA. Then, the DRBs related to the targets were determined .sdf format by PubChem, and the.sdf configuration was altered into.pdb file via Pymol.\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec11\" class=\"Section2\"\u003e \u003ch2\u003eMDA of biomolecules on targets related to key signaling pathways\u003c/h2\u003e \u003cp\u003eThe MDA was analyzed to elucidate its affinity of the biomolecules and targets linked to two key signaling pathways to be functioned as effector(s). The center of targets on the two key signaling pathways was x\u0026thinsp;=\u0026thinsp;11.213, y\u0026thinsp;=\u0026thinsp;33.474, z\u0026thinsp;=\u0026thinsp;11.162, and x\u0026thinsp;=\u0026thinsp;8.006, y=-0.459, z\u0026thinsp;=\u0026thinsp;23.392, respectively. The cubic box size of active site was x\u0026thinsp;=\u0026thinsp;40 \u0026Aring;, y\u0026thinsp;=\u0026thinsp;40 \u0026Aring;, z\u0026thinsp;=\u0026thinsp;40 \u0026Aring;. The LigPlot\u0026thinsp;+\u0026thinsp;2.2 was utilized to describe the interaction of 2D binding on hydrophobic and hydrophilic bonds (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://www.ebi.ac.uk/thornton-srv/software/LigPlus/\u003c/span\u003e\u003cspan address=\"https://www.ebi.ac.uk/thornton-srv/software/LigPlus/\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e) (accessed on 23th February 2023) [\u003cspan citationid=\"CR27\" class=\"CitationRef\"\u003e27\u003c/span\u003e].\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec12\" class=\"Section2\"\u003e \u003ch2\u003eThe reactivity of key biomolecules via frontier molecular orbitals (FMO)\u003c/h2\u003e \u003cp\u003eBased on the Lee-Yang-Parr (LYP) correlation functional theory at the 6-31G++ (d,p), the key biomolecules including positive controls were completely formatted utilizing GaussView 6.0 and Gaussian 16W software. This setup methodology was to obtain molecular orbitals (MO): lowest occupied molecular orbital (LUMO), and highest occupied molecular orbital (HOMO). To assess the reactivity of key molecules, energy gap (eV), hardness (ɳ), softness (S), and electronegativity (χ) were calculated by below formulae.\u003c/p\u003e \u003cp\u003eEnergy gap\u0026thinsp;=\u0026thinsp;HOMO ─ LUMO\u003c/p\u003e \u003cdiv id=\"Sec13\" class=\"Section3\"\u003e \u003ch2\u003eɳ = (LUMO ─ HOMO)/2\u003c/h2\u003e \u003cdiv id=\"Sec14\" class=\"Section4\"\u003e \u003ch2\u003eS\u0026thinsp;=\u0026thinsp;1/ ɳ\u003c/h2\u003e \u003cp\u003eχ = (LUMO ─ HOMO)/2\u003c/p\u003e \u003c/div\u003e \u003c/div\u003e \u003c/div\u003e"},{"header":"Results","content":"\u003cdiv id=\"Sec16\"\u003e\n \u003ch2\u003eProfiling of biomolecules from CKF\u003c/h2\u003e\n \u003cp\u003eA total of 31 biomolecules were recorded by Gas Chromatography Mass Spectrum (GC-MS) (Fig. \u003cspan\u003e2\u003c/span\u003eB), which was listed up biomolecule name, PubChem ID, retention time (RT), area, and chemical taxonomy (Table \u003cspan\u003e2\u003c/span\u003e). The 31 biomolecules were accepted by Lipinski\u0026rsquo;s rule (Molecular Weight\u0026thinsp;\u0026le;\u0026thinsp;500 g/ mol; Moriguchi octanol\u0026ndash;water partition coefficient\u0026thinsp;\u0026le;\u0026thinsp;4.15;\u003c/p\u003e\n \u003cp\u003eNumber of Nitrogen or Oxygen\u0026thinsp;\u0026le;\u0026thinsp;10; Number of NH or OH\u0026thinsp;\u0026le;\u0026thinsp;5). The TPSA values as the cell permeability standard are less than 140 \u0026Aring;\u003csup\u003e2\u003c/sup\u003e, the chemical constituents confirmed by the filtering were considered as DRBs (Table \u003cspan\u003e3\u003c/span\u003e).\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec17\"\u003e\n \u003ch2\u003eRecognition of intersecting targets between SEA and STP databases\u003c/h2\u003e\n \u003cp\u003eThe targets associated with DRBs were identified by SEA and STP databases, indicating that targets identified by SEA (343), STP (458), each other (\u003cstrong\u003eSupplementary Table S1\u003c/strong\u003e). The Venn diagram plotter represented the intersecting targets (45) as important targets linked to DRBs (\u003cstrong\u003eSupplementary Table S1\u003c/strong\u003e) (Fig. \u003cspan\u003e3\u003c/span\u003eA).\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec18\"\u003e\n \u003ch2\u003eIdentification of the final overlapping targets between OB-responded targets and the intersecting targets (45)\u003c/h2\u003e\n \u003cp\u003eThe number of 3028 targets connected to occurrence and progression of OB were browsed by DisGeNET and OMIM databases. Also, the Venn diagram plotter exhibited that a total of 22 targets was the uppermost targets between CKF-related and OB-responded targets (\u003cstrong\u003eSupplementary Table S1\u003c/strong\u003e) (Fig. \u003cspan\u003e3\u003c/span\u003eB). However, among the number of 22 targets, the number of four targets (PDCD4, ADH1B, GSTK1, and OXER1) was not correlated with one another.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec19\"\u003e\n \u003ch2\u003ePPI networks and key signaling pathways via a bubble plot\u003c/h2\u003e\n \u003cp\u003eThe PPI networks were identified the most significant target via STRING database with assistance of R Package, suggesting that IL6 had the greatest degree of value (12) in 18 targets (18 nodes, and 37 edges) (Table \u003cspan\u003e4\u003c/span\u003e), (Fig. \u003cspan\u003e3\u003c/span\u003eC). A bubble plot is according to targets of PPI networks, demonstrating that PPAR signaling pathway as an agonistic mode, and AGE-RAGE signaling pathway in diabetic complications as an antagonistic function might exert therapeutic efficacy on OB (Table \u003cspan\u003e5\u003c/span\u003e) (Fig. \u003cspan\u003e3\u003c/span\u003eD).\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec20\"\u003e\n \u003ch2\u003eThe CGSTM analysis with GM, and CKF\u003c/h2\u003e\n \u003cp\u003eThe CGSTM networks consist of CKF, 10 GMs, 2 signaling pathways, 7 targets, and 21 metabolites, representing as 41 nodes, and 59 edges. The CKF, \u003cem\u003eEnterococcus faecalis, Lactobacillus paracasei, Strepotococcus salivarius JIM8772\u003c/em\u003e, and \u003cem\u003eStrepotococcus salivarius K12\u003c/em\u003e related to PPAR signaling pathway on FABP4, PPARA, PPARD, and PPARG with 10 metabolites. The \u003cem\u003eEubacterium limosum, Lactobacillus paracasei JS1, Enterococcus durans EP1, Enterococcus durans EP2, Enterococcus durans EP3, and Enterococcus durans M4-5\u003c/em\u003e associated with AGE-RAGE signaling pathway in diabetic complications on CDC42, VEGFA, and IL6 with 11 metabolites (Fig. \u003cspan\u003e4\u003c/span\u003e). Hence, GM\u0026rsquo;s metabolites and CKF biomolecules show that they have strong relationships to exert the therapeutic effects in treating OB.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec21\"\u003e\n \u003ch2\u003eMolecular docking assay (MDA)\u003c/h2\u003e\n \u003cp\u003eIn the PPAR signaling pathway, the MDA unveiled that both linoleic acid and stearic acid on PPARA (PDB ID: 3SP6) and PPARD (PDB ID: 5U3Q) had valid docking scores with \u0026minus;\u0026thinsp;6.0 kcal/mol, and \u0026minus;\u0026thinsp;6.8 kcal/mol, respectively (Fig. \u003cspan\u003e5\u003c/span\u003eA, \u003cspan\u003e5\u003c/span\u003eB). On VEGFA (PDB ID: 3P9W) and PPARG (PDB ID: 3E00), there were no potent metabolites from CKF or GM. Noticeably, dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate had the most stable binding score (-6.7 kcal/mol) on FABP4 (PDB ID: 3P6D) (Fig. \u003cspan\u003e5\u003c/span\u003eC). The potential ligands on the PPAR signaling pathway were originated from CKF.\u003c/p\u003e\n \u003cp\u003eIn the AGE-RAGE signaling pathway in diabetic complications, IL6 (PDB ID: 4NI9) was associated with nine metabolites out of DRBs from CKF or GM: (1) equol (PubChem ID: 91469), (2) 3-indolepropionic acid (PubChem ID: 3744), (3) 3-deoxy-d-mannoic lactone (PubChem ID: 541561), (4) linoleic acid (PubChem ID: 5280450), (5) 9,12-octadecadienoic acid (PubChem ID: 3931), (6) butyrate (PubChem ID: 104775), (7) acetate (PubChem ID: 175), (8) trimethylamine oxide (PubChem ID: 1145), (9) propionate (PubChem ID: 104745). In nine metabolites, the most stable conformer was equol converted from \u003cem\u003eLactobacillus paracasei JS1\u003c/em\u003e, which was \u0026minus;\u0026thinsp;7.2 kcal/mol with valid binding energy (Fig. \u003cspan\u003e5\u003c/span\u003eD). Commonly, the active value of binding energy is less than \u0026minus;\u0026thinsp;6.0 kcal/mol on AutoDock Vina [\u003cspan\u003e28\u003c/span\u003e].\u003c/p\u003e\n \u003cp\u003eNext, on CDC42 (PDB ID: 3GCG), (1) 2-amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one (PubChem ID: 15954620) produced by CKF formed the most stable complex with \u0026minus;\u0026thinsp;6.8 kcal/mol (Fig. \u003cspan\u003e5\u003c/span\u003eE), followed by (2) guanosine (PubChem ID: 135398635). The significant metabolites were originated from CKF and GM on the AGE-RAGE signaling pathway in diabetic complications. The detailed information of MDA represented in Table \u003cspan\u003e6\u003c/span\u003e.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec22\"\u003e\n \u003ch2\u003eDFT verification of key molecules and positive controls\u003c/h2\u003e\n \u003cp\u003eThe Density Functional Theory (DFT) of key molecules and positive controls were compared with their chemical reactivity factors: energy gap (eV), hardness (ɳ), softness (S), and electronegativity (\u0026chi;). Commonly, a compound to be either an acceptor or a donator can be determined by the LUMO and HOMO levels. The two key compounds suggested by this study (Equol, Dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate, and 2-amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one) represented noticeable softness values (10.025 eV, 18.248 eV, and 9.706 eV) and seems to be stable molecules, compared to a standard medicine (Orlistat). A molecule stability is determined to HOMO-LUMO energy gap and the molecule with lower energy gap is linked to its softer property, the compound(s) with the characters can be considered as the most significant agent(s) [\u003cspan\u003e29\u003c/span\u003e]. Specifically, stearic acid with positive values on both LUMO, and HOMO was removed because a positive HOMO would suggest that the physicochemical property can be ionized easily [\u003cspan\u003e30\u003c/span\u003e]. The detailed representation was depicted in Table \u003cspan\u003e7\u003c/span\u003e, Fig. \u003cspan\u003e6\u003c/span\u003e.\u003c/p\u003e\n\u003c/div\u003e"},{"header":"Discussion","content":"\u003cp\u003eThe CKF is known as herbal source to ameliorate OB; nevertheless, its effectors are yet to be reported completely, including its promising targets, and mechanism(s). In this study, we employed GC-MS analysis to select the DRBs to be permeable in the cells.\u003c/p\u003e \u003cp\u003eIn parallel, our aim was to establish the merged representation with biomolecules from CKF and GM, which will be a new insight to clarify the specific relationships between the diet supplementation and GM. Up to date, the perspective viewpoints to demonstrate scientific evidences have been developed with data repository [\u003cspan citationid=\"CR31\" class=\"CitationRef\"\u003e31\u003c/span\u003e]. Thereby, we analyzed the interplay between CKF and GM in the treatment on OB with assistance of rigorous bioinformatics: SEA [\u003cspan citationid=\"CR32\" class=\"CitationRef\"\u003e32\u003c/span\u003e], STP [\u003cspan citationid=\"CR33\" class=\"CitationRef\"\u003e33\u003c/span\u003e], STRING [\u003cspan citationid=\"CR34\" class=\"CitationRef\"\u003e34\u003c/span\u003e], and gutMGene [\u003cspan citationid=\"CR35\" class=\"CitationRef\"\u003e35\u003c/span\u003e]. Moreover, based on the quantum chemical analysis, we adopted DFT theory to confirm the chemical reactivity of key molecules. The reactivity was determined by energy gap, hardness, softness, and electronegativity through LUMO and HOMO values. The stability and reactivity of molecules may be attributed to E\u003csub\u003eGAP\u003c/sub\u003e, which is a significant description to explain such as hardness, softness and electronegativity [\u003cspan additionalcitationids=\"CR37 CR38\" citationid=\"CR36\" class=\"CitationRef\"\u003e36\u003c/span\u003e\u0026ndash;\u003cspan citationid=\"CR39\" class=\"CitationRef\"\u003e39\u003c/span\u003e]. The greater of the electronegativity, the more greatly that atom attracts the shared electrons, which is an index to measure the charge transfer in a molecule [\u003cspan citationid=\"CR40\" class=\"CitationRef\"\u003e40\u003c/span\u003e]. DFT was employed to establish more accurate theory, suggesting that the three molecules had more stability, softness, and reactivity than a standard drug (Orlistat).\u003c/p\u003e \u003cp\u003eIn this study, we have shown the combinatorial efficacy to relieve OB on PPAR signaling pathway and AGE-RAGE signaling pathways in diabetic complications. For example, dietary mixture with 1% (weight/weight) linoleic acid for 4 weeks reduced body weight (BW) and white adipose tissue (WAT) density in mice experiment [\u003cspan citationid=\"CR41\" class=\"CitationRef\"\u003e41\u003c/span\u003e]. Likewise, a 1% and 1.5% (weight/weight) composition of linoleic acid for 21 days to 28 days diminished BW and WAT amount in obese mice [\u003cspan citationid=\"CR42\" class=\"CitationRef\"\u003e42\u003c/span\u003e]. It elicits that optimal treatment of linoleic acid might be an ameliorator for AOB. As an indole derivative, pharmacological activity of dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate is yet to be confirmed. Our study suggests that dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate might exert therapeutic effect on FABP4. As aforementioned above, linoleic acid, and dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate are effectors to activate PPAR signaling pathway due to the highest rich factor on a bubble plot. Accordingly, the biomolecules from CKF were associated with activation on PPAR signaling pathway.\u003c/p\u003e \u003cp\u003eNext, in AGE-RAGE signaling pathway in diabetic complications, equol from GM is the most stable ligand on IL6, considering that equol might be a potent agent against OB. Our previous study clarified that equol converted by \u003cem\u003eLactobacillus paracasei JS1\u003c/em\u003e can bind firmly to the active site on IL6 [\u003cspan citationid=\"CR43\" class=\"CitationRef\"\u003e43\u003c/span\u003e]. Additionally, our result has been shown that 2-Amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one from CKF exhibited good binding score on CDC42. Both CKF and GM were involved in dampening of AGE-RAGE signaling pathway in diabetic complications.\u003c/p\u003e \u003cp\u003eThe epidemiological evidence demonstrated that infants are subjected to obese category during breastfeeding had a decreased pattern of \u003cem\u003eEnterococcus\u003c/em\u003e compared with observed control groups [\u003cspan citationid=\"CR44\" class=\"CitationRef\"\u003e44\u003c/span\u003e]. It implies that \u003cem\u003eEnterococcus\u003c/em\u003e is a significant microbe to modulate weight, which lines up with our CGSTM networks analysis. \u003cem\u003eEubacterium limosum\u003c/em\u003e can covert natural polyphenols into favorable metabolites, which is a beneficial microbe to prevent OB in polyphenols-microbiota interconnections [\u003cspan citationid=\"CR45\" class=\"CitationRef\"\u003e45\u003c/span\u003e]. \u003cem\u003eLactobacillus paracasei\u003c/em\u003e to be taken 10\u003csup\u003e7\u003c/sup\u003e\u0026sim;10\u003csup\u003e8\u003c/sup\u003e Colony Forming Unit (CFU)/day for 10 weeks exerts AOB effects in an obese mice model [\u003cspan citationid=\"CR46\" class=\"CitationRef\"\u003e46\u003c/span\u003e]. Above mentioned, CKF, and GM is capable to alleviate OB via its orchestration in pharmacological space. The key findings are represented in Fig.\u0026nbsp;\u003cspan refid=\"Fig10\" class=\"InternalRef\"\u003e7\u003c/span\u003e.\u003c/p\u003e \u003cp\u003eThe intention of utilizing biological network module was to decrypt the intricated relationships between CKF and GM. NP is a powerful methodology to identify the relationships between targets and metabolites from CKF, and GM. The application of the combined methodology has already been confirmed to diminish the error rate between interpretation of great amount of data in biological fields and its results [\u003cspan citationid=\"CR47\" class=\"CitationRef\"\u003e47\u003c/span\u003e]. Correspondingly, this study shows that the integrated pharmacological analysis with CKF and GM provides significant clues to uncover its nuanced relationships in the treatment on OB.\u003c/p\u003e \u003cdiv id=\"Sec24\" class=\"Section2\"\u003e \u003ch2\u003eThe pros and cons of this study\u003c/h2\u003e \u003cp\u003eWith the integrated pharmacological concept, we confirmed the therapeutic value of CKF and beneficial GM in the treatment of OB. The layout has been devised to decrypt interrelationships between CKF and GM, which is a platform mode to input new information. Also, with exactness and rigorousness, we introduced quantum chemistry theory to realize the drug-resemblance level of key compounds by comparison with a standard drug. In a way, this scenario shows that combinatorial study (bioinformatics, cheminformatics, pharmacology, microbiology, natural products chemistry, and quantum chemistry) can be beneficial to develop more significant effectors via extensive microbiome and nutrition against human disease. This setting might be a hallmark to advance further microbiome research as well as would be a new inflection point to unravel the unclarified relationships of exogenous species (diet) \u0026ndash; endogenous species (GM) \u0026ndash; host (human).\u003c/p\u003e \u003cp\u003eIn this report, the output obtained by the platform are significant elements to confirm the synergistic efficacy of CKF and GM against OB. On the entire viewpoint, the platform can be a significant tool to discover new findings on human diseases. In the context of it, more experimental data and its mechanistic studies are needed to obtain better interpretation of the complicated matrix between CKF and GM.\u003c/p\u003e \u003c/div\u003e"},{"header":"Conclusion","content":"\u003cp\u003eTo summarize, we revealed that PPARA-linoleic acid; and FABP4-dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate from CKF on PPAR signaling pathway as agonistic mode, and IL6-equol from \u003cem\u003eLactobacillus paracasei JS1\u003c/em\u003e; and CDC42-2-amino-8-[3-d-ribofuranosyl] imidazo[1,2-a]-s-triazin-4-one from CKF on AGE-RAGE signaling pathway in diabetic complications as antagonistic mode for relieving OB. This study revealed that CKF and GM might lead to orchestrated effects against OB. In spite of the crucial findings, more pharmacokinetic and mechanistic approach are necessary to untangle the intricated microbiome atlas based on our scientific evidence that unified the therapeutic efficacy of CKF on OB, as characterized in this study.\u003c/p\u003e"},{"header":"Abbreviations","content":"\u003ctable border=\"0\" cellspacing=\"0\" cellpadding=\"0\" width=\"472\"\u003e\n \u003ctbody\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eAnti-OBesity\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eAOB\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eBody Mass Index\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eBMI\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eBody Weight\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eBW\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eColony Forming Unit\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eCFU\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eCKF or GM, Signaling pathways, Targets, and Molecules\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eCGSTM\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003e\u003cem\u003eCornus kousa\u003c/em\u003e Fruit\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eCKF\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003e\u003cem\u003eCornus kousa\u0026nbsp;\u003c/em\u003eLeaves\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eCKLs\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eCardioVascular Diseases\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eCVD\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eDensity Functional Theory\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eDFT\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eDrug-Resemblance Biomolecules\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eDRBs\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eDegree of Value\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eDV\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eEthanolic CKF\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eECKF\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eGas Chromatography-Mass Spectrometry\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eGC-MS\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eGut Microbiota\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eGM\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eHighest Occupied Molecular Orbital\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eHOMO\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eHydrogen Bond Acceptor\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eHBA\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eHydrogen Bond Donor\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eHBD\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eLowest Unoccupied Molecular Orbital\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eLUMO\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eMolecular Docking Assay\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eMDA\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003e\u003cem\u003eMoriguchi octanol-water partition coefficient\u003c/em\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eMLog P\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eMass Spectra\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eMS\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eMolecular Weight\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eMW\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eNetwork Pharmacology\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eNP\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eObesity\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eOB\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eProtein Protein Interaction\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003ePPI\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eProtein Protein Interaction\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003ePPI\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eRetention Time\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eRT\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eSimilarity Ensemble Approach\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eSEA\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eSimilarity Ensemble Approach\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eSEA\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eSaturated Fatty Acid\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eSFA\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eSimplified Molecular Input Line Entry System\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eSMILES\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eSwissTargetPrediction\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eSTP\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eSwissTargetPrediction\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eSTP\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eTopological Polar Surface Area\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eTPSA\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eUnsaturated Fatty Acid\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eUFA\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"84.95762711864407%\"\u003e\n \u003cp\u003eWhite Adipose Tissue\u0026nbsp;\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.042372881355933%\"\u003e\n \u003cp\u003eWAT\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003c/tbody\u003e\n\u003c/table\u003e"},{"header":"Declarations","content":"\u003cp\u003e\u003cstrong\u003eSupplementary Information\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eSupplementary Table S1: The number of 343 targets from SEA; The number of 458 targets from STP; The number of 3028 targets responded to obesity; The number of 22 final targets.\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eAcknowledgements\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eOpen access publishing facilitated by Hallym University, the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology, Korea Institute for Advancement of Technology, and Bio Industrial Technology Development Program funded by the Ministry of Trade, Industry and Energy (MOTIE, Korea).\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eAuthor Contributions\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eDJKand KTSinvestigated the project. KTS and KKO designed the study. SBL, SYL, HG, RG, SPS, SMW, and JJJcontributed the data acquisition. KKO, and SJY performed the visualization of the data. KKO, SJY, SBL, and SYL analyzed and interpreted the data. KTSand KKO drafted the manuscript. All authors have read and agreed to the published version of the manuscript.\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eAuthor\u0026rsquo;s information\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eNot applicable\u0026nbsp;\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eFunding\u0026nbsp;Information\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eThis research was supported by the Hallym University Research Fund, the Basic Science Research Program through the National Research Foundation of Korea, funded by the Ministry of Education, Science and Technology (NRF-2020R1I1A3073530 and NRF-2020R1A6A1A03043026).\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eData availability:\u0026nbsp;\u003c/strong\u003eAll data generated or analyzed during this study are included in this published article (and its Supplementary Information files).\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eEthics approval and consent to participate\u0026nbsp;\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eNot applicable.\u0026nbsp;\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eConsent for publication\u0026nbsp;\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eNot applicable.\u0026nbsp;\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eCompeting interests\u0026nbsp;\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eThe authors declare that they have no competing interests.\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eAuthor details\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003e\u003csup\u003e1\u003c/sup\u003eInstitute for Liver and Digestive Diseases, College of Medicine, Hallym University, Chuncheon 24252, Korea.\u003c/p\u003e"},{"header":"References","content":"\u003col\u003e\u003cli\u003e\u003cspan\u003eArtham SM, Lavie CJ, Milani R V., Ventura HO. 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Available from: \u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://onlinelibrary.wiley.com/doi/full/10.1002\u003c/span\u003e\u003cspan address=\"https://onlinelibrary.wiley.com/doi/full/10.1002\" targettype=\"URL\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e/pmic.201500396\u003c/span\u003e\u003c/li\u003e\u003c/ol\u003e"},{"header":"Tables","content":"\u003cp\u003e\u003cstrong\u003eTable 1\u003c/strong\u003e. The profiles of available databases for the study.\u003c/p\u003e\n\u003ctable border=\"0\" cellspacing=\"0\" cellpadding=\"0\" width=\"652\"\u003e\n \u003ctbody\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e\u003cstrong\u003eNo.\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003e\u003cstrong\u003eDatabases\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003e\u003cstrong\u003eSpecification\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003e\u003cstrong\u003eURL\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eAutoDock 1.5.6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eA program for virtual screening of molecules to targets\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://mybiosoftware.com/autodock-4-2-3-autodocktools-1-5-6-suite-automated-docking-tools.html\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eDisGeNET\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eThe collective repository related to human diseases\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://www.disgenet.org/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eGaussian 16W\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eComputational chemistry software for DFT\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003eno available: commercial item\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eGaussView 6.0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eChemical interface program \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://gaussview.software.informer.com/6.0/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003egutMGene\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eThe database of gut microbiota and its metabolites\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttp://bio-annotation.cn/gutmgene\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eLigPlot++\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eA program to generate 2D ligand-protein interaction diagrams\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://www.ebi.ac.uk/thornton-srv/software/LigPlus/download.html\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eOnline Mendelian Inheritance in Man (OMIM)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eHuman disease database associated with targets\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://www.omim.org/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e8\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003ePubChem\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eA database of chemical information\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://pubchem.ncbi.nlm.nih.gov/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e9\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eRCSB PDB\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eThe protein-structure based database\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://www.rcsb.org/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e10\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eR package\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eA software for networking visualization \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://www.r-project.org/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e11\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eSimilarity Ensemble Approach (SEA)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eA database to identify targets on compounds\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://sea.bkslab.org/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e12\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eSTRING\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eA database for protein-protein interaction (PPI) networks\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttps://string-db.org/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e13\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eSwissADME\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eA database to confirm the drug-like properties\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttp://www.swissadme.ch/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e14\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eSwissTargetPrediction (STP)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eA database to estimate the targets on biomolecules\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttp://www.swisstargetprediction.ch/\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"3.834355828220859%\"\u003e\n \u003cp\u003e15\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.23926380368098%\"\u003e\n \u003cp\u003eVenn Diagram Plotter\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"27.300613496932517%\"\u003e\n \u003cp\u003eVenn diagram proportional drawing tool\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"46.625766871165645%\"\u003e\n \u003cp\u003ehttp://www.softsea.com/review/Venn-Diagram-Plotter.html\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003c/tbody\u003e\n\u003c/table\u003e\n\u003cp\u003e\u003cstrong\u003eTable 2. \u003c/strong\u003eThe profiling of chemical constituents from CKF via GC-MS.\u003c/p\u003e\n\u003ctable border=\"0\" cellspacing=\"0\" cellpadding=\"0\" width=\"663\"\u003e\n \u003ctbody\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e\u003cstrong\u003eNo.\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e\u003cstrong\u003eCompounds\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e\u003cstrong\u003ePubChem ID\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e\u003cstrong\u003eRT(mins)\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e\u003cstrong\u003eArea(%)\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003e\u003cstrong\u003eClassification\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003ealpha.-d-Mannofuranoside, isopropyl-\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e537903\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e5.337 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.99 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eCarbohydrates and carbohydrate conjugates\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e2-Furanone, 3,4-dihydroxytetrahydro\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e536124\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e5.395 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.86 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eGamma butyrolactones\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eGlyceraldehyde (propanal, 2,3-dihydroxy-)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e751\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e5.712, 6.174\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.95 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eCarbohydrates and carbohydrate conjugates\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eDihydromaltol (2,3-dihydro-5-hydroxy-6-methyl-4H- pyran-4-one)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e6429306\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e6.250 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.66 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003ePyranones and derivatives\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003ePyrimidine-4,6-diol, 5-methyl-\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e581007\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e6.375 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e1.46 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003ePyrimidines and pyrimidine derivatives\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e2,3-Dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e119838\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e6.799, 7.068\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e10.86 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003ePyranones and derivatives\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e5-Hydroxymethylfurfural\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e237332\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e7.404 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e30.08 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eCarbonyl compounds\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e8\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e2-propyl-5- oxohexanoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e538225\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e7.500, 7.606\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e4.30 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eFatty acids and conjugates\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e9\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e6-Acetyl-.beta.-d-mannose\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e91691338\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e7.808, 8.058\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e1.13 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eCarbohydrates and carbohydrate conjugates\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e10\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e4-methylthiazol-2-ol\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e220936\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e7.866 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e2.24 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eThiazoles\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e11\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e9-Acetoxynonanal\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e537145\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e8.154 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e1.09 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eFatty alcohol esters\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e12\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e268060\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e8.375 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e1.41 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eEthers\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e13\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e3,7-Dimethyl-1-octene\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e21085\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e8.481 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.80 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eUnsaturated aliphatic hydrocarbons\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e14\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e4-Methoxy-2,3-dimethylbutyraldehyde\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e102239823\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e8.875 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e5.13 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eEthers\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e15\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eHeptose\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e219662\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e8.980 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e2.82 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eCarbohydrates and carbohydrate conjugates\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e16\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eN-Acetyl-d-cycloserine\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e3246575\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e9.106 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.90 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eAmino acids, peptides, and analogues\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e17\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e2-Amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e15954620\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e9.164 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e1.16 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eCarbohydrates and carbohydrate conjugates\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e18\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e2-Ethyl-2-hexenal\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e5354264\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e9.222 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e1.05 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eCarbonyl compounds\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e19\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eAcetamide, N-(3-methylbutyl)-\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e98643\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e9.481 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e2.47 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eCarboxylic acid derivatives\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e20\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e3-Deoxy-d-mannoic lactone \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e541561\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e9.895 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e13.93 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eDelta valerolactones\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e21\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e1-Deoxy-d-altritol\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e18667263\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e10.164 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e3.17 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eCarbohydrates and carbohydrate conjugates\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e22\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eGuanosine\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e135398635\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e10.549 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.80 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003ePurine nucleosides\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e23\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003ePalmitic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e985\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e10.722 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e1.78 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eFatty acids and conjugates\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e24\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e(Z,Z)-Gossyplure\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e5363265\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e11.039 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.75 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eFatty alcohol esters\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e25\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eLinoleic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e5280450\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e11.433 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.35 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eLineolic acids and derivatives\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e26\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eStearic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e5281\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e11.520 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e1.90 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eFatty acids and conjugates\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e27\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e7-Pentadecyne \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e549063\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e12.116, 12.173, 12.279\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.32 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eAcetylenes\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e28\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e9,12-octadcadienoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e3931\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e12.693, 19.164\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.88 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eLineolic acids and derivatives\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e29\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eZ,E-7,11-Hexadecadien-1-yl acetate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e5363282\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e12.847, 12.962\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e1.20 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eFatty alcohol esters\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e30\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003e2-Chloroethyl linoleate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e5365671\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e13.164, 13.250, 13.289, 13.548, 13.654\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e3.80 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eLineolic acids and derivatives\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.374057315233785%\"\u003e\n \u003cp\u003e31\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"32.73001508295626%\"\u003e\n \u003cp\u003eDimethyl 2,3-bis(1,3-dimethylindol-2-yl)fumarate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.463046757164404%\"\u003e\n \u003cp\u003e129854768\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"20.512820512820515%\"\u003e\n \u003cp\u003e16.683 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.144796380090497%\"\u003e\n \u003cp\u003e0.28 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"22.77526395173454%\"\u003e\n \u003cp\u003eIndoles\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003c/tbody\u003e\n\u003c/table\u003e\n\u003cp\u003eRT: Retention Time\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eTable 3. \u003c/strong\u003eThe physicochemical properties of chemical constituents.\u003c/p\u003e\n\u003ctable border=\"0\" cellspacing=\"0\" cellpadding=\"0\" width=\"682\"\u003e\n \u003ctbody\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\" rowspan=\"3\"\u003e\n \u003cp\u003e\u003cstrong\u003eNo.\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\" rowspan=\"3\"\u003e\n \u003cp\u003e\u003cstrong\u003eCompounds\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.59324522760646%\" colspan=\"4\"\u003e\n \u003cp\u003e\u003cstrong\u003eLipinski Rules\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"13.80323054331865%\" colspan=\"2\"\u003e\n \u003cp\u003e\u003cstrong\u003eLipinski\u0026apos;s Violations\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.747430249632894%\" colspan=\"2\"\u003e\n \u003cp\u003e\u003cstrong\u003eBioavailability Score\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"10.719530102790015%\" colspan=\"3\"\u003e\n \u003cp\u003e\u003cstrong\u003eTPSA(\u0026Aring;\u0026sup2;)\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"9.166666666666666%\"\u003e\n \u003cp\u003e\u003cstrong\u003eMW\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"10%\"\u003e\n \u003cp\u003e\u003cstrong\u003eHBA\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"10%\"\u003e\n \u003cp\u003e\u003cstrong\u003eHBD\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.555555555555555%\" colspan=\"2\"\u003e\n \u003cp\u003e\u003cstrong\u003eMLog P\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.944444444444443%\" colspan=\"2\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"23.61111111111111%\" colspan=\"2\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"11.944444444444445%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"2.7777777777777777%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"9.166666666666666%\"\u003e\n \u003cp\u003e\u003cstrong\u003e\u0026lt; 500\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"10%\"\u003e\n \u003cp\u003e\u003cstrong\u003e\u0026lt; 10\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"10%\"\u003e\n \u003cp\u003e\u003cstrong\u003e\u0026le; 5\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.555555555555555%\" colspan=\"2\"\u003e\n \u003cp\u003e\u003cstrong\u003e\u0026le; 4.15\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.944444444444443%\" colspan=\"2\"\u003e\n \u003cp\u003e\u003cstrong\u003e\u0026le;1\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"23.61111111111111%\" colspan=\"2\"\u003e\n \u003cp\u003e\u003cstrong\u003e\u0026gt; 0.1\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.944444444444445%\"\u003e\n \u003cp\u003e\u003cstrong\u003e\u0026lt;140\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"2.7777777777777777%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003ealpha.-d-Mannofuranoside, isopropyl-\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e222.24 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-1.75\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e99.38 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e2-Furanone, 3,4-dihydroxytetrahydro\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e118.09 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-1.64\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e66.76 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eGlyceraldehyde (propanal, 2,3-dihydroxy-)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e90.08 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-1.66\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e57.53 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eDihydromaltol (2,3-dihydro-5-hydroxy-6-methyl-4H- pyran-4-one)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e128.13 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-0.92\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.85\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e46.53 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003ePyrimidine-4,6-diol, 5-methyl-\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e126.11 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-0.85\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e65.98 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e2,3-Dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e144.13 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-1.77\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.85\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e66.76 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e5-Hydroxymethylfurfural\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e126.11 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-1.06\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e50.44 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e8\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e2-propyl-5- oxohexanoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e172.22 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e1.29\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.85\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e54.37 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e9\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e6-Acetyl-.beta.-d-mannose\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e222.19 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-2.2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e116.45 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e10\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e4-methylthiazol-2-ol\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e115.15 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-0.16\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e61.10 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e11\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e9-Acetoxynonanal\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e200.27 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e1.88\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e43.37 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e12\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e198.22 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e0.76\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e44.76 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e13\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e3,7-Dimethyl-1-octene\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e140.27 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e4.68\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e0.00 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e14\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e4-Methoxy-2,3-dimethylbutyraldehyde\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e130.18 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e0.81\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e26.30 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e15\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eHeptose\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e210.18 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-3.36\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e138.45 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e16\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eN-Acetyl-d-cycloserine\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e144.13 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-1.35\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e67.43 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e17\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e2-Amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e283.24 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-2.76\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e148.13 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e18\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e2-Ethyl-2-hexenal\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e126.20 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e1.97\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e17.07 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e19\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eAcetamide, N-(3-methylbutyl)-\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e129.20 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e1.22\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e29.10 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e20\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e3-Deoxy-d-mannoic lactone \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e162.14 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-1.68\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e86.99 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e21\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e1-Deoxy-d-altritol\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e166.17 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-1.95\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e101.15 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e22\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eGuanosine\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e283.24 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e-2.76\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e159.51 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e23\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003ePalmitic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e256.42 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e4.19\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.85\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e37.30 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e24\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e(Z,Z)-Gossyplure\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e280.45 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e4.47\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e26.30 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e25\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eLinoleic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e280.45 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e4.47\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.85\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e37.30 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e26\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eStearic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e284.48 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e4.67\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.85\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e37.30 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e27\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e7-Pentadecyne \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e208.38 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e6.04\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e0.00 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e28\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e9,12-octadcadienoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e280.45 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e4.47\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.85\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e37.30 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e29\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eZ,E-7,11-Hexadecadien-1-yl acetate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e280.45 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e4.47\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e26.30 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e30\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003e2-Chloroethyl linoleate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e342.94 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e5.15\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e26.30 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"4.258443465491924%\"\u003e\n \u003cp\u003e31\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"42.87812041116006%\"\u003e\n \u003cp\u003eDimethyl 2,3-bis(1,3-dimethylindol-2-yl)fumarate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"4.845814977973569%\"\u003e\n \u003cp\u003e430.50 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"5.286343612334802%\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.223201174743025%\" colspan=\"2\"\u003e\n \u003cp\u003e3.01\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.95741556534508%\" colspan=\"2\"\u003e\n \u003cp\u003e0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.481644640234949%\" colspan=\"2\"\u003e\n \u003cp\u003e0.55\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"6.31424375917768%\"\u003e\n \u003cp\u003e62.46 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"1.4684287812041117%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003c/tbody\u003e\n\u003c/table\u003e\n\u003cp\u003eMW: Molecular Weight; HBA: Hydrogen Bond Acceptor; HBD: Hydrogen Bond Donor; MLog P: \u003cem\u003eMoriguchi octanol-water partition coefficient; TPSA: Topological Polar Surface Area.\u003c/em\u003e\u003cstrong\u003e \u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eTable 4. \u003c/strong\u003eThe degree of value (DV) in PPI networks.\u003c/p\u003e\n\u003ctable border=\"0\" cellspacing=\"0\" cellpadding=\"0\" width=\"293\"\u003e\n \u003ctbody\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e\u003cstrong\u003eNo.\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003e\u003cstrong\u003eTarget name\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e\u003cstrong\u003eDegree of value\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eIL6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e12\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003ePPARG\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e8\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003ePPARA\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eVEGFA\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eCNR1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e6\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eAKR1B1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eTRPV1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e5\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e8\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eCDC42\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e9\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eFABP4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e4\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e10\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eCNR2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e11\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eFFAR4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e3\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e12\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eEHMT1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e13\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eRAC1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e14\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003ePPARD\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e2\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e15\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eADA\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e16\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eENPP2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e17\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eBCAT2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"11.945392491467576%\"\u003e\n \u003cp\u003e18\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"38.225255972696246%\"\u003e\n \u003cp\u003eKDM4C\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"49.829351535836174%\"\u003e\n \u003cp\u003e1\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003c/tbody\u003e\n\u003c/table\u003e\n\u003cp\u003e\u003cstrong\u003eTable 5. \u003c/strong\u003eThe targets of key signaling pathways on OB.\u003c/p\u003e\n\u003ctable border=\"0\" cellspacing=\"0\" cellpadding=\"0\" width=\"586\"\u003e\n \u003ctbody\u003e\n \u003ctr\u003e\n \u003ctd width=\"53.24232081911263%\"\u003e\n \u003cp\u003e\u003cstrong\u003eKEGG ID \u0026amp; Description \u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"29.01023890784983%\"\u003e\n \u003cp\u003e\u003cstrong\u003eTarget \u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"17.747440273037544%\"\u003e\n \u003cp\u003e\u003cstrong\u003eFalse discovery rate\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"53.24232081911263%\"\u003e\n \u003cp\u003ehsa03320: PPAR signaling pathway\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"29.01023890784983%\"\u003e\n \u003cp\u003ePPARA, PPARD, PPARG, FABP4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"17.747440273037544%\"\u003e\n \u003cp\u003e0.00057\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"53.24232081911263%\"\u003e\n \u003cp\u003ehsa04933: AGE-RAGE signaling pathway in diabetic complications\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"29.01023890784983%\"\u003e\n \u003cp\u003eIL6, VEGFA, CDC42\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"17.747440273037544%\"\u003e\n \u003cp\u003e0.03210\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003c/tbody\u003e\n\u003c/table\u003e\n\u003cp\u003e\u003cstrong\u003eTable 6. \u003c/strong\u003eThe detailed information of MDA.\u003c/p\u003e\n\u003ctable border=\"0\" cellspacing=\"0\" cellpadding=\"0\" width=\"629\"\u003e\n \u003ctbody\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.555555555555555%\" colspan=\"2\"\u003e\n \u003cp\u003eGrid box\u003c/p\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\" rowspan=\"2\"\u003e\n \u003cp\u003eHydrogen Bond Interactions\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\" rowspan=\"2\"\u003e\n \u003cp\u003eHydrophobic Interactions\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"19.587628865979383%\"\u003e\n \u003cp\u003eProtein\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"25.77319587628866%\"\u003e\n \u003cp\u003eLigand\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"14.690721649484535%\"\u003e\n \u003cp\u003ePubChem ID\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"14.690721649484535%\"\u003e\n \u003cp\u003eBinding energy (kcal/mol)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"12.11340206185567%\"\u003e\n \u003cp\u003eCenter \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"13.144329896907216%\"\u003e\n \u003cp\u003eDimension\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\n \u003cp\u003ePPARA \u003c/p\u003e\n \u003cp\u003e(PDB ID: 3SP6)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003elinoleic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5280450\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-6.0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=8.006\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eMet320, Met220\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePhe218,Asn219,Gly335\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-0.459\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eTyr334,Leu331,Val332\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=23.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eIl2901,Thr279,Val324\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLeu321,Thr283\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003estearic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5281\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=8.006\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGln442,Asp353,Leu413\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-0.459\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eHis440,Glu439,Leu436\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=23.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAsp432,Phe361,Lys358\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePro357,Ile446\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e2-propyl-5-oxohexanoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e538225\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=8.006\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eTyr334,Thr283,Asn219\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGly335,Leu331,Thr279\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-0.459\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eVal324,Met220,Leu321\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=23.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eMet320,Val332\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003eheptose\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e219662\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=8.006\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eThr283,Met220,Tyr334\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePhe218,Glu286,Thr279\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-0.459\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eAsn219\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eVal332\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=23.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e3,7-dimethyl-1-octene\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e21085\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=8.006\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eMet320,Leu321,Val324\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-0.459\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eMet220,Leu331,Il2901\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=23.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eThr283,Ile317\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003epalmitic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e985\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-4.9\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=8.006\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eVal332,Ile241,IL2901\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-0.459\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAla333,Thr279,Val255\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=23.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eTyr334,Leu258,Cys275\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAla250,Leu254,Glu251\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e9,12-octadecadienoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e3931\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-4.0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=8.006\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eThr697,Thr285,Lys692\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-0.459\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eHis457,Val281,Leu459\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=23.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLeu689,Leu693,Glu289\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAla696\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\n \u003cp\u003ePPARG \u003c/p\u003e\n \u003cp\u003e(PDB ID: 3E00)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e10-keto-12z-octadecenoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e24970825\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=39.265\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eGlu343\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eSer342,Ile341,Leu228\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-18.736\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eMet329,Pro227,Glu295\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=119.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGlu291,Arg288\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003elinoleic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5280450\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=39.265\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eThr162,Leu167\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAsp166,Lys336,Glu369\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-18.736\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eVal372,Arg350,Glu351\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=119.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGln193,Lys354,Arg202\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003epalmitic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e985\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.1\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=39.265\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eGlu291,Arg288\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGlu343,Leu333,Leu330\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-18.736\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLeu228,Met329,Ala292\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=119.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eIle326,Glu295\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e2-chloroethyl linoleate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5365671\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=39.265\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eGln451\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePhe437,Leu433,Lys367\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-18.736\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLeu452,Pro366,Asp362\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=119.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eHis49,Glu448,Glu434\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003estearic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5281\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=39.265\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLys157,Glu207,Gln206\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-18.736\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eArg164,Val163,Ala376\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=119.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eArg234,Val372,Asn375\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLys336,Arg202,Glu203\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e9,12-octadecadienoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e3931\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=39.265\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eLeu430,Gln451\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGlu434,Phe437,Leu452\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=-18.736\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAsp362,Glu448,Val455\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=119.392\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLeu433\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\n \u003cp\u003eFABP4 \u003c/p\u003e\n \u003cp\u003e(PDB ID: 3P6D)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003edimethyl 2,3-bis(1,3-dimethylindol-2-yl)fumarate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e129854768\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-6.7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=7.693\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eLys120\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGly121,Thr103,Val94\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey= 9.921\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eSer101,Thr102,Val118\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=14.698\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003eheptose\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e219662\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=7.693\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eIle51,Thr60,Arg106\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGln95,His93,Ala75\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey= 9.921\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eThr74,Lys52,Ser53\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=14.698\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eMet40,Glu72,Ile104\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003estearic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5281\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=7.693\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGly46,Cys1,Leu86\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey= 9.921\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAsp47,Met0,Ser1\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=14.698\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLeu66\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e2-chloroethyl linoleate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5365671\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=7.693\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eGly88\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGly46,Leu66,Ile49\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey= 9.921\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eMet0,Asp87,Leu86\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=14.698\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eSer1,Cys1,Asp47\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003elinoleic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5280450\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-4.9\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=7.693\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eLeu86\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eThr85,Leu66,Asp47\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey= 9.921\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eCys1,Gly46,Ser1\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=14.698\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eMet0\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003epalmitic Acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e985\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-4.4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=7.693\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eGlu72,Val80\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLys79,Asp71,Val73\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey= 9.921\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGlu61,Thr60\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=14.698\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e2-propyl-5-oxohexanoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e538225\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-4.4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=7.693\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eThr56\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePhe57,Met35,Val32\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey= 9.921\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=14.698\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e9,12-octadecadienoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e3931\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-4.3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=7.693\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eAsp47\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eMet0,Cys1,Ser1\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey= 9.921\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLeu86,Thr85,Leu66\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=14.698\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\n \u003cp\u003eIL6 \u003c/p\u003e\n \u003cp\u003e(PDB ID: 4NI9)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003eequol\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e91469\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-7.4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=11.213\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eGlu110,Asp34,Tyr31\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGln111,Gly35,Ala114\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=33.474\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=11.162\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e3-indolepropionic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e3744\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-7.2\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=11.213\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eArg16\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePro18,Gln17\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=33.474\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=11.162\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e3-deoxy-d-mannoic lactone \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e541561\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-6.3\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=11.213\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=33.474\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=11.162\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003elinoleic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5280450\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.0\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=11.213\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eLys39\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGlu81,Pro80,Ser168\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=33.474\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePhe83,Glu105,Leu104\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=11.162\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGln166,Lys103,Glu165\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePro40,Ile106\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e9,12-octadecadienoic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e3931\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-4.8\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=11.213\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eGlu110\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGlu110,Tyr31,Ala114\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=33.474\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=11.162\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003ebutyrate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e104775\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-4.4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=11.213\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=33.474\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=11.162\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003eacetate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e175\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-3.8\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=11.213\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eArg16\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=33.474\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=11.162\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003etrimethylamine oxide\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e1145\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-3.6\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=11.213\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=33.474\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=11.162\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003epropionate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e104745\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-3.5\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=11.213\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eSer194,Ser114,Ser193\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePro192,Asn137,Ser141\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=33.474\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=11.162\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\n \u003cp\u003eVEGFA \u003c/p\u003e\n \u003cp\u003e(PDB ID:3P9W)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003ealpha.-d-mannofuranoside, isopropyl-\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e537903\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.9\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=-12.652\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eAsp63,Asn62,Glu64\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eIle83,Asp63,His86\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=70.481\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eIle46\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=-40.286\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e6-acetyl-.beta.-d-mannose\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e91691338\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.8\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=-12.652\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eGlu64,Asn62,Asp63\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePro85,Ile46,Ile83\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=70.481\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAsp63,Ile46,Asn62\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=-40.286\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e2-chloroethyl linoleate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e5365671\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-5.4\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=-12.652\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003en/a\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eGlu64,Ile83,Ile46\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=70.481\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eHis86,Phe36,Glu64\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=-40.286\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePro85\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\n \u003cp\u003eCDC42 \u003c/p\u003e\n \u003cp\u003e(PDB ID: 3GCG)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e2-amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e15954620\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-6.8\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=-12.652\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eLys107,Lys104,Pro34\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eVal33,Gly15,Lys16\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=70.481\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eThr17,Gly60\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAla59,Gly12,Glu62\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=-40.286\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eAla13,Thr35,Asn125\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003eguanosine\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e135398635\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\n \u003cp\u003e-6.7\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ex=-12.652\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_x = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eLys104,Lys107,Gly60\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eThr35,Asn125,Ala59\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ey=70.481\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.095238095238095%\"\u003e\n \u003cp\u003esize_y = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"21.904761904761905%\"\u003e\n \u003cp\u003eGly62,Thr17\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003eLys16,Gly12,Ala13\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"12.063492063492063%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"15.873015873015873%\"\u003e\n \u003cp\u003e \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"9.047619047619047%\"\u003e\u003cbr\u003e\u003c/td\u003e\n \u003ctd width=\"7.4603174603174605%\"\u003e\n \u003cp\u003ez=-40.286\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"30%\" colspan=\"2\"\u003e\n \u003cp\u003esize_z = 40\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"16.50793650793651%\"\u003e\n \u003cp\u003ePro34,Val33\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003c/tbody\u003e\n\u003c/table\u003e\n\u003cp\u003e\u003cstrong\u003eTable 7. \u003c/strong\u003eThe parameters of quantum kinetics of key compounds and a standard drug.\u003c/p\u003e\n\u003ctable border=\"0\" cellspacing=\"0\" cellpadding=\"0\" width=\"633\"\u003e\n \u003ctbody\u003e\n \u003ctr\u003e\n \u003ctd width=\"43.1496062992126%\"\u003e\n \u003cp\u003e\u003cstrong\u003eMolecules\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e\u003cstrong\u003eLUMO\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.818897637795276%\"\u003e\n \u003cp\u003e\u003cstrong\u003eHOMO\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.968503937007874%\"\u003e\n \u003cp\u003e\u003cstrong\u003eE\u003csub\u003eGAP\u003c/sub\u003e (eV)\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.133858267716535%\"\u003e\n \u003cp\u003e\u003cstrong\u003eɳ (eV)\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e\u003cstrong\u003eS (eV)\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e\u003cstrong\u003e\u0026chi; (eV)\u003c/strong\u003e\u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"43.1496062992126%\"\u003e\n \u003cp\u003eOrlistat (*)\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.0257 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.818897637795276%\"\u003e\n \u003cp\u003e- 0.2645 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.968503937007874%\"\u003e\n \u003cp\u003e- 0.2388 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.133858267716535%\"\u003e\n \u003cp\u003e0.1194 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e8.3766 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.1194 \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"43.1496062992126%\"\u003e\n \u003cp\u003eLinoleic acid\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.0082 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.818897637795276%\"\u003e\n \u003cp\u003e- 0.2355 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.968503937007874%\"\u003e\n \u003cp\u003e- 0.2272 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.133858267716535%\"\u003e\n \u003cp\u003e0.1136 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e8.8017 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.1136 \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"43.1496062992126%\"\u003e\n \u003cp\u003e2-amino-8-[3-d-ribofuranosyl]imidazo[1,2-a]-s-triazin-4-one\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.0257 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.818897637795276%\"\u003e\n \u003cp\u003e- 0.2318 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.968503937007874%\"\u003e\n \u003cp\u003e- 0.2061 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.133858267716535%\"\u003e\n \u003cp\u003e0.1030 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e9.7059 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.1030 \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"43.1496062992126%\"\u003e\n \u003cp\u003eEquol\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.0097 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.818897637795276%\"\u003e\n \u003cp\u003e- 0.2092 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.968503937007874%\"\u003e\n \u003cp\u003e- 0.1995 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.133858267716535%\"\u003e\n \u003cp\u003e0.0998 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e10.0246 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.0998 \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003ctr\u003e\n \u003ctd width=\"43.1496062992126%\"\u003e\n \u003cp\u003eDimethyl 2,3-bis(1,3-dimethylindol-2-yl)fumarate\u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.0811 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.818897637795276%\"\u003e\n \u003cp\u003e- 0.1907 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"11.968503937007874%\"\u003e\n \u003cp\u003e- 0.1096 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"9.133858267716535%\"\u003e\n \u003cp\u003e0.0548 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e18.2482 \u003c/p\u003e\n \u003c/td\u003e\n \u003ctd width=\"8.976377952755906%\"\u003e\n \u003cp\u003e- 0.0548 \u003c/p\u003e\n \u003c/td\u003e\n \u003c/tr\u003e\n \u003c/tbody\u003e\n\u003c/table\u003e\n\u003cp\u003e (*): Anti-obesity standard drug \u003c/p\u003e"},{"header":"Supplementary Files","content":"\u003cp\u003eSupplementary Table S1 is not available with this version.\u003c/p\u003e"}],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":true,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":false,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":false,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"Cornus kousa fruit, gut microbiota, network pharmacology analysis, AGE-RAGE signaling pathway in diabetic complications, PPAR signaling pathway","lastPublishedDoi":"10.21203/rs.3.rs-2842996/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-2842996/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003e\u003cstrong\u003eBackground\u003c/strong\u003e:\u003cem\u003e Cornus kousa\u003c/em\u003e fruit (CKF) has been utilized as anti-obesity (AOB) supplementation in East Asia, including Korea, and gut microbiota (GM) might have positive effects on obesity (OB) via its interplay. We aimed to decode molecule(s), mechanism(s), and target(s) on interactive association between CKF and GM via network pharmacology (NP) analysis. The chemical constituents from ethanolic CKF (ECKF) were detected by Gas Chromatography-Mass Spectrometry (GC-MS).\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eResults\u003c/strong\u003e: The 31 compounds in ECKF were accepted by Lipinski’s rule and the overlapping targets (45) were identified by SEA and STP. The final targets (22) were selected on OB-responded targets, indicating that IL6 was the most crucial protein-coding target on PPI networks. A bubble plot and CKF, GM, signaling pathways, targets, and metabolites (CGSTM) networks suggested that AGE-RAGE signaling pathway in diabetic complications inhibited by CKF, and PPAR signaling pathway activated by GM. As the most stable conformers, the IL6-equol complex was attributed to GM, and PPARA-linoleic acid, PPARD-stearic acid, and FABP4-dimethyl 2,3-bis(1,3-dimethylindol-2-yl) fumarate complex were attributed to CKF. Noticeably, stearic acid was removed by Density Functional Theory (DFT) analysis, all other three molecules were proposed as good electron donators with the higher electronegativity, compared with a standard drug (Orlistat).\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eConclusion\u003c/strong\u003e: This study shows that integrated pharmacological analysis can enable to decode the unknown relationships between CKF and GM. For the extensive viewpoints, our approach can obtain scientific evidence to verify the food-GM-host interactions by introducing several fields: bioinformatics, cheminformatics, pharmacology, microbiology, natural products chemistry, and quantum chemistry. Overall, this study reveals that the combination of CKF and favorable GM might exert dual therapeutic effects on OB.\u003c/p\u003e","manuscriptTitle":"The orchestration of Cornus kousa fruit and gut microbiota for anti- obesity via integrated pharmacological analysis based on metabolomics","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2023-04-25 23:40:29","doi":"10.21203/rs.3.rs-2842996/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"ebbe53aa-090e-4f4b-96e9-a33cb1d3a316","owner":[],"postedDate":"April 25th, 2023","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2023-05-25T13:59:23+00:00","versionOfRecord":[],"versionCreatedAt":"2023-04-25 23:40:29","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-2842996","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-2842996","identity":"rs-2842996","version":["v1"]},"buildId":"7rjqhiLT3MXkJMwkYKINL","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}