Exploring the active components and potential mechanisms of Qingre Liangxue Decoction in the treatment of psoriasis vulgaris with blood-heat syndrome based on UHPLC-Q-exactive Orbitrap/MS and network pharmacology

Exploring the active components and potential mechanisms of Qingre Liangxue Decoction in the treatment of psoriasis vulgaris with blood-heat syndrome based on UHPLC-Q-exactive Orbitrap/MS and network pharmacology | 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 Exploring the active components and potential mechanisms of Qingre Liangxue Decoction in the treatment of psoriasis vulgaris with blood-heat syndrome based on UHPLC-Q-exactive Orbitrap/MS and network pharmacology Jiayi Liu, Xiangnan Zhou, Rui Cai, Doudou Wu, Yanping Bai This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-3806518/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 Psoriasis is a common, chronic, inflammatory papulosquamous skin disease which is difficult to be cured. Qingre Liangxue Decoction(QRLXD), originated from the classic formula Xijiao Dihuang Decoction, as a famous classical prescription for the treatment of psoriasis vulgaris (PV) with blood-heat syndrome in the traditional Chinese medicine (TCM), shows good efficacy in clinical practice. Since the mechanism of action is still unclear, this article was aimed to profile the absorbed prototype constituents in rat serum after its oral administration and explore the molecular mechanism of QRLXD using network pharmacology and molecular docking technology. Methods First, chemical components of QRLXD absorbed in vivo were comprehensively analyzed by Ultra high performance liquid chromatography-high resolution mass spectrometry (UPLC-Q-Exactive-Orbitrap-MS) method. The Swiss Target Prediction was used to predict corresponding potential target genes of active compounds. Simultaneously, 5 disease databases were used to search and filter psoriasis vulgaris (PV) with blood-heat syndrome targets, and then we constructed a protein-protein interaction (PPI) network. Metascape were utilized for GO and KEGG enrichment analysis. After that, we constructed a network of "QRLXD-compounds-target-pathway-PV" by Cytoscape. Molecular docking simulation was conducted to further refine the drug-target interaction by AutoDock software. Results A total of 68 ingredients were identified in vitro and 18 ingredients in vivo, targeting 523 proteins, among which 129 were related to psoriasis. The protein with a higher degree in the PPI network is TNF, ALB, AKT1, STAT3 and EGFR. 1488 GO biological process items and 162 KEGG signal pathways were enriched. GO and KEGG indicated that QRLXD treatment of psoriasis mainly involves protein kinase activity, protein tyrosine kinase activity, phosphotransferase activity, alcohol group as acceptor and other biological processes.The signaling pathways mainly include the pathways in cancer,PI3K-Akt ,MAPK and IL-17 signaling pathways. The main compounds and the target protein had a good binding ability in molecular docking. The molecular docking results revealed that Dibutyl phthalate, Ethyl benzoylformate, Scopoletin, Albiflorin R1, 3-Hydroxycoumarin have higher affinity with TNF, ALB and AKT1. Conclusion This study suggests that QRLXD against PV with blood-heat syndrome through multiple components, multiple targets and multiple pathways. This study identified effective compounds of QRLXD in vivo and predicted potential molecular mechanisms of QRLXD in psoriasis treatment, serving as an important basis for the modernization of QRLXD. Qingre Liangxue Decoction psoriasis vulgaris network pharmacology molecular docking therapeutic mechanism Figures Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 Figure 6 Figure 7 1. Introduction Psoriasis is a common, chronic, auto-immune papulosquamous skin disease presenting at any age, and affects approximately 2,3% of the global population [1] . The classic morphology of psoriasis usually manifests well demarcated erythema covered in silvery scales. Removal of the adherent scales can result in small bleeding points (known as the Auspitz sign) [2] . The most frequent recognised is psoriasis vulgaris(PV). According to the consensus of TCM, PV mainly include blood-stasis syndrome, blood-heat syndrome, and blood-dryness syndrome. Psoriasis vulgari with blood-heat syndrome is characterized by bright red papules with pruritus. Although the exact pathogenesis of psoriasis is not totally understood, interleukin-17 (IL-17), interleukin-23 (IL-23) and helper T cells type 17 (Th17) axis has been identified as key drivers of PV pathogenesis [3] . Topical therapy (corticosteroids, vitamin D3 analogues and calcineurin inhibitors), oral systemic therapies(methotrexate, ciclosporin and acitretin) [4] , phototherapy (UVA and UVB) and biologics (anti-TNFα, anti-IL17, anti-IL-12p40 or IL-23p40 and anti-IL-23p19) remain the main therapies for psoriasis. However, none of them can cure psoriasis and these medications had obvious systemic side effects [5] . Therefore, it is very urgent to develop new anti-psoriatic medicine with low side effects. Traditional Chinese medicine (TCM) has its unique advantages in disease management because of the characteristics of multiple components, multiple targets and multiple pathways. Qingre Liangxue Decoction(alias: Quyin Granule) has been used to treat psoriasis vulgari with blood-heat syndrome for over 20 years in China-Japan Friendship Hospital. As shown in our clinical observations, QRLXD shows good efficacy in clinical practice and is widely recognized by patients [6] . However, its active compounds, pharmacological effects and underlying mechanisms have not been studied yet. Although there are many chemical components in traditional Chinese medicine, only the components absorbed can be the real effective components [ 7 ] . In order to explore the main components and predicts molecular biological mechanisms of QRLXD treating PV to the greatest extent, we used UPLC-Q‐TOF‐MS to profile and characterize chemical components of QRLXD and the absorbed constituents in rat sample after its oral administration, followed by targets prediction, protein association, GO and KEGG pathway analysis to explore the molecular mechanism of QRLXD using network pharmacology, and finally verified the results with molecular docking, increasing the possibility of the prediction results. In this paper, we explore the main components and predicts molecular biological mechanisms of QRLXD in treating PV, in order to provide relevant references for follow-up research. The flowchart of the present study is illustrated in Fig. 1 . 2. Materials and methods 2.1. Preparation of QRLXD QRLXD consists of 8 herbs (Table 1 ) and were purchased from China-Japan Friendship Hospital. To prepare the QRLXD solution, all 8 herbs were soaked with distilled water for 1h .Then the materials of QRLXD were co-decocted in water twice. Water added in the first decoction was 12 times the total weight of the herbs for 1.5h. In the second decoction, it was 10 times the total weight of the herbs for 1h. The two decoctions were then combined and concentrated to 1g/mL and were stored at 4°C. Table 1 Chinese traditional medical herbs of QRLXD Chinese name Accepted scientific name Plant part Batch number Amount (g) Baiying Solanum lyratum Thunb. Herb 220916002 15 Shemei Duchesnea indica (Andr.) Focke Herb 221014001 10 Zicao Arnebia euchroma (Royle) Johnst. Root 220804001 15 Tufuling Smilacis Glabrae Rhizome Root 220602002 15 Baihuasheshecao Hedyotis Diffusa Herb 230520002 15 Chishao Radix Paeoniae Rubra Root 220909001 15 Mudanpi Paeonia suffruticosa Andrews Cortex 220827001 15 Shengdihuang Rehmanniae Radix Root 230421002 15 2.2. Materials and Reagents 3,4-Dihydroxybenzoic acid(PCS220412), Gallic acid(PCS221026), Paeonol(PCS220425), Paeoniflorin (PCS220425), 5-O-caffeoylshikimic acid(PCS220314), Desacetyl asperulosidic acid (PCS220620), Rehmannioside D(PCS221110), Paeonolide(PCS221203), Forsythoside E(PCS220806), Oxypaeoniflorin(PCS220412), Benzoylpaeoniflorin(PCS220412), and Caffeic(PCS220412) were purchased from Chengdu HerbSubstance Co.,Ltd.(purity ≥ 98%). Ultra-pure water was prepared using a Milli-Q water purification system (Bedford, France). Acetonitrile and methanol were of UPLC grade (Merck, Darmstadt, Germany). All other reagents were of analytical grade. LC Ultimate 3000 Series System tandem Q Exactive™ Hybrid Quadrupole-Orbitrap™ Mass Spectrometer (Thermo Scientific, US) was utilized. 2.3. Animals and treatments 12 SD male rats (220 ± 20g) were purchased from the Beijing Vital River Laboratory Animal Technology Co., Ltd [SCXY(Jing)2021-0006] and were kept at an ambient temperature (22–26°C) and humidity (40–70%), under a 12h light-dark cycle, had free access to food and drinking sterile water for 7 days before the experiment. All animal experiment protocols were approved by the Animal Ethics Committee of Beijing University of Chinese Medicine (approval number: BUCM-2023091002-3198). 12 rats were randomly divided into 2 groups (n = 6/group): the normal control (NC) group, the QRLXD group (8.3g/ml). Rats were administered drugs or 0.9% normal saline orally once a day for 3 days. On the 4th day, under sodium pentobarbital, the mice were euthanized by cervical dislocation, and their organs and orbital blood were collected for UHPLC-Q-TOF-MS Analysis. 2.4. Sample Collection and Pretreatment Method Blood Sample: Blood samples were collected from the orbital blood about 0.3mL at 0.5h, 1h, 1.5h, 2h after the last administration of QRLXD and left to stand at room temperature for 30min in the anticoagulation tube and then centrifuged at 3000 rpm/min for 10 min at 4°C to obtain serum, then 200L methanol was added to each 100µL serum and vortexed for 3 min. Blood samples were centrifuged at 13000 rpm/min at 4°C for 15min. After transferring to a new centrifuge tube, the supernatant was dried with nitrogen at 40°C and the residue was reconstituted in 100µL of methanol. The supernatant was centrifuged at 13000 rpm/min at 4°C for 15min and prepared for UHPLC-Q-TOF-MS analysis. Organ Sample: Following exsanguination, heart, liver, spleen, lung, kidney, brain were rapidly sampled from the mice, rinsed with normal saline and blotted onto a filter paper. 2.0g of tissues was homogenized in 0.9% sodium chloride solution (1:1, w/v) to prepare the homogenate (0.2 g/mL).Then,organ samples were centrifuged at 13000rpm/min at 4°C for 15min. After transferring to a new centrifuge tube, methanol(1:3, w/v) was added to each 100µL sample.The supernatant was centrifuged at 13000 rpm/min at 4°C for 15min and prepared for UHPLC-Q-TOF-MS analysis. 2.5. UHPLC-Q-TOF-MS Analysis The HPLC conditions: Chromatographic analysis was performed using a Waters ACQUITY UHPLC BEH C 18 Column(2.1×150mm, 2.6µm). The mobile phase consisted of methanol (A) and 0.1% formic acid-water solution (B). The gradient profile was as follows: (0-10min, 2%-50%A;10-25min, 50%-95%A;) with the flow rate kept at 0.3mL/min. The column temperature was 40°C, the volume injected was 3µl.Mass spectrum conditions: Mass spectrometry analysis was performed using a heated electrospray ionization (HESI) source. The full scan range was m/z100-1500Da and the spray voltage was 3.5kV. During the analysis, other operating parameters used for MS analysis were 40arb for sheath gas flow, 10arb for auxiliary gas flow rate, 320°C for spray temperature, 350°C for Aux gas heater temperature. The resolution of MS and MS/MS was set at 70000 and 35000, respectively. 2.6. Target collection of QRLXD and PV The potential targets of the compounds were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP, http://lsp.nwu.edu.cn/tcmsp.php ) [ 8 , 9 ] and swisstargetprediction database ( http://www.swisstargetprediction.ch/) [ 10 ] .Th e obtained targets were imported into UniProt database ( https://www.UniProt.org/ ) for gene name transformation. Genes related to PV were acquired from five databases, including the GeneCards databases ( http://www.genecards.org/ ) [ 11 ] , the OMIM database ( http://www.omim.org/) [ 12 ] ,th e Therapeutic Target database(TTD, http://db.idrblab.net/ttd/ ) [ 13 ] , DrugBank database ( https://go.drugbank.com/) [ 14 ] an d PharmGkb database( https://www.pharmgkb.org/) [ 15 ] ,usin g “psoriasis vulgari” as the keyword. Finally, the gene library of PV was established by eliminating repeated targets. The intersection targets between the PV-related genes and the predicted QRLXD targets were obtained and Jvenny ( http://www.bioinformatics.com.cn ) [ 16 ] was used to construct a Venn diagram for visualization. 2.7. PPI network for core target selection The potential targets of QRLXD against PV were imported into the STRING database ( http://string-db.org ) [ 17 ] . The species was limited to “Homo sapiens” and the confidence score was set to ≥ 0.4. Cytoscape3.9.1 was used to construct a network of potential key targets and to perform a systematic analysis of the network parameters. 2.8. GO and KEGG enrichment analysis Metascape( http://metascape.org ) [ 18 ] was used to analyze the enrichment of GO(gene ontology) annotation in the biological process(BP), cellular component(CC) and molecular function(MF) and KEGG(Kyoto encyclopedia of genes and genomes) pathway. Terms with P 1.5 were considered significant. Subsequently, GO and KEGG data were uploaded to the Bioinformatics ( http://www.bioinformatics.com.cn/ ) platform for visual analysis. 2.9. Construction of “QRLXD-compounds-target-pathway-PV” network The components of QRLXD, the common target genes of QRLXD and PV, and the top 20 signaling pathways of the genes by KEGG analysis were selected as nodes. The corresponding relationships were constructed into a visual “QRLXD-compounds-target-pathway-PV” network with Cytoscape 3.9.1 software and use Cyto NCA for topology analysis. The main active ingredients of QRLXD in the treatment of PV with blood-heat syndrome were screened according to degree centrality (DC), closeness centrality (CC) and betweenness centrality (BC). 2.10. Molecular Docking Analysis The top five compounds from the core QRLXD compounds were selected for molecular docking with the most important proteins from the core targets in PPI for PV treatment. Drug molecule structures were downloaded from PubChem databases ( https://pubchem.ncbi.nlm.nih.gov/ ) [ 19 ] . The targets crystal structure was acquired from the PDB protein database ( https://www.rcsb.org/ ) [ 20 ] , imported into AutoDockTools1.5.7, dehydrated, hydrogenated, and used for ligand separation. The PDBIDs were TNF(6Q01), ALB(3MRK) and AKT1 (1UNQ). AutoDockVina and PyMOL software were used for molecular docking and visualization. 3. Results 3.1. Identification of compounds in QRLXD A total of 68 chemical constituents were identified, including 20 monoterpenoids, 8 iridoid glycosides, 10 phenolic acids, 4 glycosides, 2 organic acids, 2 phenylethanolsides, 1 penylpropanoid, 2 coumarins, 1 alkaloids, 1 flavonoids, 1 cyclic peptides, 1 naphthoquinone,1 furfural, 4 pentagalloylglucose and 8 other groups, shown in Fig. 2 . 13 compounds were confirmed by comparison with reference standards. 3.2. Analysis of Prototype Constituents of QRLXD in Rat Sample The rat sample was analyzed by UHPLC-Q-TOF-MS method. The BPIs of QRLXD absorbed in vivo are shown in Fig. 3 . According to the accurate mass and secondary fragment, the chemical compounds in QRLXD and rat sample were identified through comparison with data of chemical components of QRLXD.18 ingredients were identified in vivo and found the source in Table 3 . Table 3 Identification of chemical constituents of QRLXD absorbed by UPLC-Q-TOF-MS NO. Identity Formula Adduct Type Average m/z RT (min) MS/MS Spectrum Source Category Distribution 1 sucrose or maltose or palatinose C 12 H 22 O 11 [M-H] − 341.1089 1.07 119.0330,113.0229,89.0229,71.0136 PSA、RPR、RR、HD、SLT other - [M + Na] + 365.1052 1.09 365.1054,310.1934,203.0526 2 8-debenzoylpaeoniflorin C 16 H 24 O 10 [M + Na] + 399.1260 1.7 237.0736 RPR monoterpenoids heart;liver;kidney;blood; 3 1-O-galloyl-β-D-glucose or isomer C 13 H 16 O 10 [M-H] − 331.0673 1.89 169.0142 PSA pentagalloylglucose - 4 tyrosine C 9 H 11 NO 3 [M + H] + 182.0811 1.99 136.0609 PSA other heart;spleen;lung;kidney;brain;blood; 5 5-hydroxymethylfurfural C 6 H 6 O 3 [M-H] − 125.0245 2.21 124.0167,123.0087,97.0295,95.0139, 79.0190,69.0346 RR、PSA furfural - 6 scandoside C 16 H 22 O 11 [M-H] − 389.1087 2.51 209.0455,183.0657,165.0557,147.0451 HD iridoid glycosides - 7 gallic acid* C 7 H 6 O 5 [M-H] − 169.0144 2.57 125.0246,124.0165, 107.0138, 97.0295,81.0346,79.0189,69.0346 RR、RPR、PSA phenolic acids - 8 adenosine C 10 H 13 N 5 O 4 [M + H] + 268.1041 2.58 136.0618,119.0353 RR、PSA other liver; 9 1-O-galloyl-β-D-glucose C 13 H 16 O 10 [M-H] − 331.0673 2.79 213.9121,169.0143,124.0164 PSA pentagalloylglucose - 10 1-O-β-D-glucopyranosylp-paeonisuffrone or isomer C 16 H 24 O 9 [M + COOH] − 405.1404 3.14 359.1344,197.0819,179.0713,122.0372 RPR、PSA other - 11 acetylcatalpol or methyl (1S,4aS,5R,7aS)-1-(β-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate C 17 H 24 O 11 [M-H] − 403.1248 3.46 195.0659,179.0561 RR iridoid glycosides - 12 deacetylasperulosidic acid* C 16 H 22 O 11 [M-H] − 389.1087 3.78 227.0571,209.0455,191.0356,183.0663, 165.0556,147.0453 HD iridoid glycosides Kidney; 13 6-O-galloylsucrose C 19 H 26 O 15 [M-H] − 493.1205 3.81 331.0667,313.0567,169.0142,125.0244 PSA pentagalloylglucose - 14 syringic acid or ethyl gallate C 9 H 10 O 5 [M-H] − 197.0456 3.83 123.0452 SGR、PSA、RPR phenolic acids - 15 rehmannioside D * C 27 H 42 O 20 [M + COOH] − 731.2261 3.87 685.2211,505.1548,343.1023,341.1100, 323.0983,263.0771,221.0666,181.0506, 179.0560, 161.0456,89.0244 RR iridoid glycosides - 16 gentisic acid5-O-glucoside C 13 H 16 O 9 [M-H] − 315.0724 3.89 152.0115,108.0217 HD other - 17 mudanoside B C 18 H 24 O 14 [M-H] − 463.1098 3.92 403.0879,373.0779,343.0671,301.0566,241.0354,169.0142,125.0244 PSA monoterpenoids - 18 galloylsurose or isomer C 19 H 26 O 15 [M-H] − 493.1205 4.04 331.0672,313.0567,169.0142,125.0244 RPR、PSA pentagalloylglucose - 19 protocatechuic acid * C 7 H 6 O 4 [M-H] − 153.0195 4.13 109.0297,108.0217,91.0189 RR、HD、RPR、PSA phenolic acids - 20 mudanoside A C 14 H 18 O 9 [M-H] − 329.0881 4.45 167.0349 PSA monoterpenoids - 21 decaffeoyl verbascoside or forsythoside E * C 20 H 30 O 12 [M-H] − 461.1666 4.92 461.1703,315.1088,135.0452,85.0295 RR、PSA phenylethanolsides - 22 p-hydroxybenzoic acid C 7 H 6 O 3 [M-H] − 137.0244 4.96 137.0249,119.0138 SLT、PSA phenolic acids liver;spleen;blood; 23 galloyl desbenzoyl paeoniflorin or isomer C 23 H 28 O 14 [M-H] − 527.1408 5.27 527.1407,497.1302,451.1270 RPR、PSA monoterpenoids - 24 8-epiloganic acid C 16 H 24 O 10 [M-H] − 375.1299 5.32 213.0770,169.0869,151.0765,119.0348,113.0244,89.0244 RR iridoid glycosides heart;spleen; 25 unknown C 17 H 24 O 12 [M-H] − 419.1198 5.67 401.1078,357.1222,239.0558,221.0457,195.0662,177.0556 HD - - [M + Na] + 443.1159 5.68 263.0529,203.0527,185.0424 26 p-hydroxy-cinnamic acid C 9 H 8 O 3 [M-H] − 163.0401 5.75 119.0502,93.0345 DIF、HD penylpropanoid spleen; 27 asperuloside acid C 18 H 24 O 12 [M-H] − 431.1198 5.77 431.1232,251.0550,225.0760,165.0558 HD iridoid glycosides - 28 10-acetyl scandoside C 18 H 24 O 12 [M + Na] + 455.1158 5.80 275.0524,249.0730,185.0424 HD monoterpenoids - 29 oxypaeoniflora * C 23 H 28 O 12 [M + Na] + 519.1472 5.96 519.1473,381.1159,357.0938,323.0732,219.0625,185.0420 RPR、PSA monoterpenoids - 30 oxypaeoniflora isomer C 23 H 28 O 12 [M + COOH] − 541.1564 5.99 495.1511,477.1395,465.1383,333.0987 RPR monoterpenoids - 31 unknown C 26 H 28 O 14 [M-H] − 563.1378 6.00 563.1617 HD - - 32 quinic acid derivative C 16 H 18 O 9 [M-H] − 353.0882 6.14 191.0561,135.0452 HD other - 33 3-hydroxycoumarin C 9 H 6 O 3 [M + H] + 163.0389 6.16 117.0333, 107.0490, 89.0385 PSA coumarins liver;brain;blood; 34 chlorogenic acid C 16 H 18 O 9 [M + H] + 355.1021 6.24 191.0562 RPR phenolic acids - 35 brevifolin carboxylic acid C 13 H 8 O 8 [M-H]- 291.0150 6.54 247.0247 DIF phenolic acids - 36 catalpin C 22 H 26 O 12 [M + H] + 483.1471 6.61 483.1468 RR iridoid glycosides - 37 albiflorin R1 or isomer C 23 H 28 O 11 [M + COOH] − 525.1614 6.62 167.035 RPR monoterpenoids blood; 38 paeoniflorin * C 23 H 28 O 11 [M + Na] + 503.1521 6.65 503.1519 RPR、PSA monoterpenoids liver;spleen;kidney;brain;blood; [M + H] + 481.1702 6.66 197.0810,179.0703,121.0647,105.0335 [M + COOH] − 525.1614 9.15 449.1443,327.1087,165.0556,121.0294 [M-H + Cl]- 515.1325 9.19 449.1433 39 apiopaeonoside C 20 H 28 O 12 [M + COOH] − 505.1567 6.97 293.0885,233.0666,165.0556,150.0324 PSA glycosides - 40 paeonolide * C 20 H 28 O 12 [M + Na] + 483.1471 6.98 483.1452,317.0843 PSA glycosides - 41 deacetylasperuloside C 16 H 20 O 10 [M-H] − 371.0985 7.21 249.0613,231.0506,121.0295 HD iridoid glycosides - 42 6'-O-β-glucopyranosylalbiflorin C 29 H 38 O 16 [M + COOH] − 687.2152 7.28 611.1968,593.1880,519.1724, 489.1617,479.1532,121.0295 RPR、PSA monoterpenoids - 43 ethyl benzoylformate C 10 H 10 O 3 [M + H] + 179.0702 7.34 161.0595,133.0648,105.0699,79.0541 PSA other heart;blood; 44 moudanpioside Ⅰ C 23 H 28 O 11 [M-H] − 479.1556 7.44 121.0294 RPR、PSA monoterpenoids - 45 albiflorin C 23 H 28 O 11 [M + Na] + 503.1521 7.49 503.1519,341.1000,219.0630 RPR monoterpenoids - 46 4-methoxycinnamic acid C 10 H 10 O 3 [M + H] + 179.0702 7.51 133.0649,77.0384 HD penylpropanoid heart;blood; 47 moudanpioside E C 24 H 30 O 13 [M-H] − 525.1614 7.52 449.1455,327.1085,177.0553,165.0556,121.0295,123.0452 RPR、PSA monoterpenoids blood; 48 caffeic acid * C 9 H 8 O 4 [M + H] + 181.0494 7.71 163.0390,135.0440,107.0490 SGR、RR phenolic acids - 49 5-O-caffeoylshikimic acid * C 16 H 16 O 8 [M-H] − 335.0774 7.72 179.0349,161.0244,135.0452 SGR flavonoids - 50 suffruticoside B/D C 27 H 32 O 16 [M-H] − 611.162 7.81 611.1622,445.0989,301.0573,283.0454, 211.0250,169.0142,165.0557,125.0245 PSA glycosides - 51 scopoletin * C 10 H 8 O 4 [M + H] + 193.0496 8.03 193.0499,178.0259,150.0312,137.0597,133.0284,105.0032 RPR coumarins heart;lung;brain;blood; 52 moudanpioside D C 24 H 30 O 12 [M + COOH] − 555.1719 8.13 479.1566,327.1082,165.0556,151.0401 PSA monoterpenoids - [M + Na] + 533.1627 8.14 533.1625,371.1098 53 suffruticoside A/C C 27 H 32 O 16 [M-H] − 611.162 8.41 611.1614,445.0988,301.0572,169.0142,165.0556,125.0244 PSA glycosides - 54 paeoniflorin derivative C 11 H 16 O 3 [M + H] + 197.1172 8.51 179.1077,161.0960,137.0603,135.1168,123.1167,109.0648 RPR monoterpenoids - 55 resacetophenone C 8 H 8 O 3 [M-H] − 151.0401 8.67 135.0089 PSA phenolic acids - 56 galloylpaeoniflorin or isomer C 30 H 32 O 15 [M-H] − 631.1673 8.86 631.1669,613.1561,509.1290,491.1197, 463.1256,399.0932, 375.0715,331.0676,313.0564,271.0460,241.0350, 211.0249,169.0139,125.0244,121.0296 RPR、PSA monoterpenoids - 57 acetoxypaeoniflorin C 25 H 30 O 12 [M + COOH] − 567.1721 9.28 491.1544,121.0294 PSA monoterpenoids - 58 benzoic acid C 7 H 6 O 2 [M-H] − 121.0295 9.37 121.0292 RPR、PSA organic acids heart;liver;spleen;lung;kidney;brain;blood; 59 lactiflorin C 23 H 26 O 10 [M + COOH] − 507.1509 9.77 339.1083,121.0294 RPR monoterpenoids - 60 ellagic acid C 14 H 6 O 8 [M-H] − 300.9992 10.17 300.9989, 257.0085,229.0141,201.0193,185.0245 RPR、PSA phenolic acids - 61 16,23-oxide-22,26-epimino -cholest -22(N),23,25-3-ene-3β-ol-3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→6)-β-D-galactopyranosid C 45 H 69 NO 17 [M + H] + 896.4631 11.27 896.4620 SLT alkaloids - 62 cyclo hexaleucyl or isoleucyl C 36 H 66 N 6 O 6 [M + H] + 679.5110 11.69 679.5111,661.5009,435.3366 RPR cyclic peptides heart;liver;spleen;lung;kidney;brain;blood; 63 acetovanillone or paeonol * C 9 H 10 O 3 [M + H] + 167.0702 12.53 149.0599,122.0681,121.0647, 110.0363, 106.0412,105.0448,84.9596,78.0463 RPR、PSA phenolic acids - 64 benzoylpaeoniflorin or isomer * C 30 H 32 O 12 [M + Na] + 607.1782 12.70 607.1777,485.1431,105.0336 RPR、PSA monoterpenoids - 65 mudanpioside B/J C 14 H 6 O 8 [M-H] − 629.1879 12.71 553.1738,431.1344,413.1247, 165.0556,121.0295 PSA monoterpenoids - 66 corchorifatty acid F C 31 H 34 O 14 [M-H] − 327.2179 15.25 211.1340,171.1026,85.0296 RR organic acids - 67 dibutyl phthalate C 18 H 32 O 5 [M + H] + 279.1588 21.24 149.0236,121.0285,57.0703 RR other brain 68 des-O-methyllasiodiplodin C 16 H 22 O 4 [M + Na] + 301.1408 22.16 149.7017 AEJ naphthoquinone heart;spleen;lung;brain;blood; 3.3. Network Pharmacology Analysis 3.3.1 Potential Targets of the Active Ingredient of QRLXD Based on the results of UPLC-ESI-MS/MS, 523 compound-related targets of QRLXD were acquired through database. A total of 1312 psoriasis disease targets were obtained from the GeneCards, OMIM, Therapeutic Target, DrugBank and PharmGkb databases, after removing the repeated gene targets. Altogether 129 overlapping targets of QRLXD and PV were visualized by a Venn diagram (Fig. 4 A). The 129 overlapping genes were selected for protein-protein interaction (PPI) analysis by the STRING database and constructed by Cytoscape3.9.1 software. The PPI network formed 129 nodes and 1815 edges (Fig. 4 B). Select targets with Degree ≥ 61 as the core target, and TNF, ALB and AKT1 were considered to be key targets(Fig. 4 C). 3.3.2. GO and KEGG pathway enrichment analysis To further explore the potential mechanisms of QRLXD in the treatment of PV, we performed a GO and KEGG pathway enrichment analysis of the common targets. GO enrichment analysis showed that 1488 items in three categories were enriched : 1281 biological processes (BP), 116 molecular functions (MF), and 91 cellular components (CC). The top 10 significantly enriched terms in the three categories (P < 0.05) were shown in Fig. 5 A. The most highly enriched BP terms were selected as positive regulation of phosphorylation, positive regulation of protein phosphorylation, response to hormone, protein phosphorylation, positive regulation of transferase activity, etc. Highly enriched MF terms were identical protein kinase activity, phosphotransferase activity, alcohol group as acceptor, kinase activity, endopeptidase activity, peptidase activity, etc. The CC terms included side of membrane, membrane raft, membrane microdomain, lytic vacuole, lysosome, etc. Moreover, the KEGG enrichment analysis showed that the active components absorbed from QRLXD affected PV mainly through 162 signaling pathways. As shown in Fig. 5 B, the top 20 enriched items included pathways in cancer,PI3K-Akt signaling pathway, Lipid and atherosclerosis, MAPK signaling pathway, IL-17 signaling pathway,etc. 3.2.3. QRLXD-compounds-target-pathway-PV network analysis The “QRLXD-compounds-target-pathway-PV” network was constructed using Cytoscape 3.9.1 software, according to the target prediction results, and the active compounds of QRLXD absorbed in vivo; the core bioactive compounds included Dibutyl phthalate, Ethyl benzoylformate, Scopoletin, Albiflorin R1 and 3-Hydroxycoumarin (ranked by degree value). The degree value of network nodes is then analyzed using Network Analyzer. It is found that there are 169 nodes and 664 edges. (Fig. 6 ,Table 4 ) Table 4 The top 5 degree of compounds in network diagram No. Drug DC BC CC 1 Dibutyl phthalate 32 3731.1953 0.4169 2 Ethyl benzoylformate 27 2748.7458 0.4068 3 Scopoletin 20 2108.4958 0.3898 4 Albiflorin R1 18 1410.3782 0.3844 5 3-Hydroxycoumarin 17 736.9761 0.3862 3.3. Molecular docking verification and analysis The docking results of the top five core active ingredients (Dibutyl phthalate, Ethyl benzoylformate, Scopoletin, Albiflorin R1, 3-Hydroxycoumarin) and the top three core targets (TNF:tumor necrosis factor, ALB:Albumin, AKT1:serine/threonine kinase 1), were shown in Fig. 5 . Smaller binding energy leads to a more stable conformation. A docking score lower than − 5kcal/mol indicates that the ligand and protein can bind, while a docking score lower than − 7kcal/mol indicates that the binding activity is strong. The docking results showed that the core active ingredients had a favorable docking activity with the target proteins and were visualized in 3D(Fig. 7 A-G). 4. Discussion Psoriasis is an inflammatory skin disease that is associated with many other medical conditions, and affects over 60 million adults and children worldwide [ 21 ] . Due to the safety and drug resistance, it is limited to use western medicines for long-term treatment of psoriasis. TCM has irreplaceable advantages in the treatment of chronic and complex diseases [ 22 , 23 ] . For orally administrated TCM recipe, profiling the absorbed constituents is critical to understand the pharmacodynamic material basis and the therapeutic mechanism of TCM formulas. Qingre Liangxue Decoction, originated from the classic formula Xijiao Dihuang Decoction, improves clinical symptoms of psoriasis significantly. This study explores the effective ingredients and potential effects of QRLXD in the treatment of PV through UHPLC-Q-TOF/MS, network pharmacology and molecular docking technology. A total of 18 prototype components were identified in QRLXD in rat samples after oral administration of QRLXD, with the core components being Dibutyl phthalate, Ethyl benzoylformate, Scopoletin, Albiflorin R1 and 3-Hydroxycoumarin. Pharmacological research has shown that scopoletin and 3-Hydroxycoumarin belong to the coumarin compound family and possess antioxidant, anti-tumor, antiviral, anti-inflammatory, and neuroprotective effects. Scopoletin can induce cell apoptosis, regulate cell cycle, inhibit cancer cell proliferation, and angiogenesis by activating AMP-activated protein kinase (AMPK), epidermal growth factor receptor (EGFR), mitogen-activated protein kinase (MAPK)/extracellular signal-regulated kinase (ERK), phosphatidylinositol 3-kinase/Akt (PI3K/Akt), and signal transducer and activator of transcription 3 (STAT3), thereby exerting anti-inflammatory effects. Dibutyl phthalate downregulates the PI3K/AKT/mTOR signaling pathway to enhance cellular autophagy. Our results suggested that DBP and DEHP exposure at least partially activated the NOD2/RIP2/NF-κB signal pathway in grass carp hepatocytes, and caused inflammatory response and apoptosis. In terms of hepatotoxicity, there was synergistic relationship between DBP and DEHP [ 24 ] . Albiflorin R1 inhibits the proliferation of J774 macrophages and exhibits immunomodulatory and anti-inflammatory effects. Ethyl benzoylformate belongs to the class of α-keto esters, which undergo alcohol oxidation, decarbonylation, and decarboxylation reactions, thereby promoting the mutual reactions between Chinese medicinal materials and exerting therapeutic effects on psoriasis. Based on the absorbed components, network pharmacology was used to analyze the key components and target proteins of QRLXD in treating psoriasis, and a comprehensive analysis of the “QRLXD-compounds-target-pathway-PV” network and PPI results identified TNF, ALB, AKT1, STAT3, and other proteins as potential key targets for therapeutic effects. TNF activates downstream kinases to modulate protein phosphorylation and promote pro-inflammatory effects [ 25 ] . Inhibiting TNF-α expression can reduce the downstream inflammatory cascade reactions in psoriasis and alleviate the condition, improving the quality of life in psoriasis patients. ALB is the most abundant protein in plasma and can affect the activation of transcription factor nuclear factor-κB by increasing intracellular glutathione levels, mediating the signal regulation of inflammatory cells and inhibiting inflammation. The circulating concentrations of albumin are response to inflammation, for the albumin with low levels indicative a wide range of conditions, including presence, persistence or improvement of malnutrition, infections and cancer [ 26 ] . AKT1, through the activation of the PI3K/Akt signal pathway, participates in physiological processes such as cell proliferation, differentiation, and apoptosis, inhibiting the proliferation of psoriatic keratinocytes. STAT3 is highly expressed in psoriatic skin lesions [ 27 ] . Various cytokines such as IL-6, IL-20, IL-22, and growth factors, when bound to their receptors, activate STAT3 phosphorylation, inducing the differentiation of T cells into Th17 cells and the secretion of interleukin-17A and interleukin-22, thereby exacerbating psoriasis. Inhibiting STAT3 phosphorylation and reducing IL-17 production are important approaches for treating psoriasis. VEGFA regulates kinase activity, thereby controlling cell proliferation and enhancing microvascular permeability, which contributes to the treatment of psoriasis. The IL-17 signaling pathway activates keratinocytes to secrete cytokines and interleukins, and it synergistically activates the MAPK and NF-κB signaling pathways with TNF-α. Molecular docking simulations confirmed that the binding energies between the core targets and core components were all less than − 5 kcal/mol, indicating good binding affinity. Notably, Ethyl benzoylformate, Scopoletin and Albiflorin R1 showed higher binding activities with TNF, ALB, suggesting their close correlation with the occurrence and development of blood-heat type psoriasis. In this study, by integrating UHPLC-Q-TOF-MS/MS, network pharmacology, and molecular docking simulations, the potential pharmacological and molecular mechanisms of QRLXD in treating psoriasis vulgaris with blood-heat syndrome were systematically revealed. The key active substances in QRLXD includes Scopoletin, Ethyl benzoylformate, Albiflorin R1, 3-Hydroxycoumarin and Dibutyl phthalate, which operated mainly through regulating targets and pathways related to inflammation, tumor invasion, metastasis and apoptosis, through multiple pathways and targets. This study provides initial insights into the potential effective components and mechanisms of the Qingre Liangxue Decoction in the treatment of psoriasis vulgaris with blood-heat syndrome. 5. Conclusions In summary, the present study first identified the chemical components in QRLXD and the effective compounds of QRLXD in vivo based on UHPLC-Q-TOF-MS/MS. Combining UHPLC-Q-TOF-MS/MS, network pharmacology, molecular docking, the method was constructed to systematically expose the potential pharmacological and molecular mechanism of action of QRLXD in PV treatment. Our research indicated that Scopoletin, Ethyl benzoylformate, Albiflorin R1, 3-Hydroxycoumarin and Dibutyl phthalate may be the main active compounds of QRLXD in PV treatment, and act on the protein target TNF, ALB and AKT1 through the pathways in cancer, PI3K/Akt signaling pathway. Generally, the findings will provide a theoretical basis for the application of QRLXD and for further research on the mechanism of QRLXD in the treatment of PV. Abbreviations TCM Traditional Chinese medicine AKT1 Serine/threonine kinase 1 TNF Tumor necrosis factor BC Betweenness centrality CC Closeness centrality DC Degree centrality GO Gene ontology KEGG Kyoto Encyclopedia of Genes and Genomes PPI Protein-protein interaction UHPLC-Q-TOF/MS Ultra high-performance liquid chromatography equipped with quadrupole time of flight and mass spectrometer Declarations Author contributions Jiayi Liu conceived and designed the study. Jiayi Liu and Rui Cai contributed to the reagent preparation and data analysis. Xiangnan Zhou performed the experiments and analyzed the data. Jiayi Liu and Doudou Wu wrote and revised the manuscript. Yanping Bai supervised the study. All authors read and approved the final manuscript. Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. Data availability The datasets used and analyzed during the current study are available from the corresponding author upon reasonable request. Funding This work was supported by the National Science Foundation of China (82074445). Contributor Information Yanping Bai, Email: [email protected] . References Armstrong A. W., Read C. (2020). Pathophysiology, Clinical Presentation, and Treatment of Psoriasis: A Review. JAMA 323 (19), 1945–1960. 10.1001/jama.2020.4006 Griffiths CEM, Armstrong AW, Gudjonsson JE, Barker JNWN. Psoriasis. Lancet. 2021 Apr 3;397(10281):1301-1315. doi: 10.1016/S0140-6736(20)32549-6. PMID: 33812489., Schinocca C, Rizzo C, Fasano S, Grasso G, La Barbera L, Ciccia F, Guggino G. Role of the IL-23/IL-17 Pathway in Rheumatic Diseases: An Overview. Front Immunol. 2021 Feb 22;12: 637829. doi: 10.3389/fimmu.2021.637829. PMID: 33692806; PMCID: PMC7937623. 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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-3806518","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":263600061,"identity":"baba73f7-4cc1-432f-9d18-f6b21be638fd","order_by":0,"name":"Jiayi Liu","email":"","orcid":"","institution":"Beijing University of Chinese Medicine","correspondingAuthor":false,"prefix":"","firstName":"Jiayi","middleName":"","lastName":"Liu","suffix":""},{"id":263600062,"identity":"18d00395-274c-4190-8183-cf8e0334d5af","order_by":1,"name":"Xiangnan Zhou","email":"","orcid":"","institution":"China-Japan Friendship Hospital","correspondingAuthor":false,"prefix":"","firstName":"Xiangnan","middleName":"","lastName":"Zhou","suffix":""},{"id":263600063,"identity":"6755100c-b8b2-4cef-9ba7-f93c3f2c5e39","order_by":2,"name":"Rui Cai","email":"","orcid":"","institution":"Beijing University of Chinese Medicine","correspondingAuthor":false,"prefix":"","firstName":"Rui","middleName":"","lastName":"Cai","suffix":""},{"id":263600064,"identity":"14bc0c41-5564-4bfd-971b-9eecb03cebb4","order_by":3,"name":"Doudou Wu","email":"","orcid":"","institution":"Beijing University of Chinese Medicine","correspondingAuthor":false,"prefix":"","firstName":"Doudou","middleName":"","lastName":"Wu","suffix":""},{"id":263600065,"identity":"c506e1f6-cd7f-48af-8141-ed9f756f7101","order_by":4,"name":"Yanping Bai","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA8klEQVRIiWNgGAWjYBACNvmDDQc+GEjYsbE3H3yQUFHDwN/eY4BXC58Ec+PDGQUWyXw8x5INHpw5xiBx5lwBXi1yEuzNxjwfKhjnSeSYST5sYWYwiMj/gN9h0o1t0jwGEsxsDAlmFYkNbAwGErkb8GuROdgmOcdAgo+N4UDajcQdMkRoYUhsk3gDsoWx4diNxDPE2ALSAnQYYxszY1tBYhvQLxI5+EOMTSKx2RCshY0ZpB3kfUJaeA4CA9lAIpmNh41ZIuHMMR6JM2fwa5Fvb39w4MOfOjv5+e8/fvxRUSNHMCoxAA9pykfBKBgFo2AUYAUAwt9Inh+svU4AAAAASUVORK5CYII=","orcid":"","institution":"China-Japan Friendship Hospital","correspondingAuthor":true,"prefix":"","firstName":"Yanping","middleName":"","lastName":"Bai","suffix":""}],"badges":[],"createdAt":"2023-12-26 06:14:17","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-3806518/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-3806518/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":49016583,"identity":"9ea3b724-c2fd-476b-b37a-2d048877e432","added_by":"auto","created_at":"2024-01-01 04:39:00","extension":"png","order_by":1,"title":"Figure 1","display":"","copyAsset":false,"role":"figure","size":4419191,"visible":true,"origin":"","legend":"\u003cp\u003eFlowchart of a network pharmacology-based approach to investigate the pharmacologic targets of QRLXD in the treatment of PV.\u003c/p\u003e","description":"","filename":"floatimage7.png","url":"https://assets-eu.researchsquare.com/files/rs-3806518/v1/301fdee6894253b969cca6a5.png"},{"id":49016705,"identity":"833d2fda-e565-4189-8301-79af1849bb93","added_by":"auto","created_at":"2024-01-01 04:47:00","extension":"png","order_by":2,"title":"Figure 2","display":"","copyAsset":false,"role":"figure","size":118290,"visible":true,"origin":"","legend":"\u003cp\u003eBase peak chromatograms of QRLXD in positive (A) and negative (B) ion modes.\u003c/p\u003e","description":"","filename":"floatimage1.png","url":"https://assets-eu.researchsquare.com/files/rs-3806518/v1/8d6077467910364a55e8bc81.png"},{"id":49016707,"identity":"3f08e8d7-9b47-4efa-9d0a-b40ca9429be4","added_by":"auto","created_at":"2024-01-01 04:47:01","extension":"jpeg","order_by":3,"title":"Figure 3","display":"","copyAsset":false,"role":"figure","size":320931,"visible":true,"origin":"","legend":"\u003cp\u003eBase peak chromatograms of QRLXD absorbed in positive and negative ion modes.(A) Base peak chromatograms of organ sample. (B) Base peak chromatograms of blood sample.\u003c/p\u003e","description":"","filename":"floatimage2.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-3806518/v1/bb1ff3105ad9714f62dbb4a0.jpeg"},{"id":49016587,"identity":"6321ecb0-884b-4f6a-b69f-b1ad63dc70a6","added_by":"auto","created_at":"2024-01-01 04:39:01","extension":"png","order_by":4,"title":"Figure 4","display":"","copyAsset":false,"role":"figure","size":654438,"visible":true,"origin":"","legend":"\u003cp\u003eTargets of QRLXD and PV. (A)Venn diagram of potential targets in QRLXD and PV. (B) PPI network diagram of QRLXD in the treatment of PV. (C) Core target network diagram of QRLXD in the treatment of PV.\u003c/p\u003e","description":"","filename":"floatimage3.png","url":"https://assets-eu.researchsquare.com/files/rs-3806518/v1/c43bb1b94564a88489ab55f5.png"},{"id":49016590,"identity":"6f46c397-3b10-49f2-bbe6-223414ebabc2","added_by":"auto","created_at":"2024-01-01 04:39:01","extension":"jpeg","order_by":5,"title":"Figure 5","display":"","copyAsset":false,"role":"figure","size":321223,"visible":true,"origin":"","legend":"\u003cp\u003eDiagrams of GO and KEGG enrichment analyses of QRLXD for PV treatment. \u0026nbsp;(A) The top 10 remarkably enriched terms on biological process, cellular component, and molecular function from GO analysis. (B) The top 20 remarkably enriched pathways from KEGG analysis with a P value \u0026lt; 0.05 were identified. The size of the dots represents the number of genes, and the color represents the significance of the P value.\u003c/p\u003e","description":"","filename":"floatimage4.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-3806518/v1/2143cf9f491588825675e8ce.jpeg"},{"id":49016588,"identity":"7a427128-5368-41e7-9bb1-7e38c03f667e","added_by":"auto","created_at":"2024-01-01 04:39:01","extension":"png","order_by":6,"title":"Figure 6","display":"","copyAsset":false,"role":"figure","size":655511,"visible":true,"origin":"","legend":"\u003cp\u003eQRLXD-compounds-target-pathway-PV network.(Yellow hexagon nodes represent 18 identified compounds in QRLXD, purple triangle nodes represent 129 common targets, and green diamond nodes represent the top 20 enriched pathways by KEGG analysis.)\u003c/p\u003e","description":"","filename":"floatimage5.png","url":"https://assets-eu.researchsquare.com/files/rs-3806518/v1/5e60d513143f69f6f38b9297.png"},{"id":49016585,"identity":"cd94516a-201b-4662-a063-fbf53c6d2ff5","added_by":"auto","created_at":"2024-01-01 04:39:01","extension":"png","order_by":7,"title":"Figure 7","display":"","copyAsset":false,"role":"figure","size":247358,"visible":true,"origin":"","legend":"\u003cp\u003eThe docking results of key constituents to core targets. (A)The heatmap of of key constituents to core targets. (B)ALB-Scopoletin (C)ALB-Ethyl benzoylformate (D)ALB-Albiflorin R1 (E)TNF-Scopoletin (F)TNF-Ethyl benzoylformate (G)TNF-Albiflorin R1\u003c/p\u003e","description":"","filename":"floatimage6.png","url":"https://assets-eu.researchsquare.com/files/rs-3806518/v1/0362e0ef127ba21e0a7bb5d0.png"},{"id":49220347,"identity":"00c9c6f2-2b63-41b6-be50-67f419172811","added_by":"auto","created_at":"2024-01-05 12:22:30","extension":"pdf","order_by":0,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":2017986,"visible":true,"origin":"","legend":"","description":"","filename":"manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-3806518/v1/0323bfbc-4a6b-4687-99e2-8b2bfed3fdeb.pdf"},{"id":49016706,"identity":"0f94a51c-7db7-45ab-af2e-b3eddc3304d5","added_by":"auto","created_at":"2024-01-01 04:47:01","extension":"xlsx","order_by":1,"title":"","display":"","copyAsset":false,"role":"supplement","size":44526,"visible":true,"origin":"","legend":"","description":"","filename":"targets.xlsx","url":"https://assets-eu.researchsquare.com/files/rs-3806518/v1/bf54195d5876594377fd3bb2.xlsx"}],"financialInterests":"No competing interests reported.","formattedTitle":"Exploring the active components and potential mechanisms of Qingre Liangxue Decoction in the treatment of psoriasis vulgaris with blood-heat syndrome based on UHPLC-Q-exactive Orbitrap/MS and network pharmacology","fulltext":[{"header":"1. Introduction","content":"\u003cp\u003ePsoriasis is a common, chronic, auto-immune papulosquamous skin disease presenting at any age, and affects approximately 2,3% of the global population\u003csup\u003e[1]\u003c/sup\u003e. The classic morphology of psoriasis usually manifests well demarcated erythema covered in silvery scales. Removal of the adherent scales can result in small bleeding points (known as the Auspitz sign)\u003csup\u003e[2]\u003c/sup\u003e. The most frequent recognised is psoriasis vulgaris(PV). According to the consensus of TCM, PV mainly include blood-stasis syndrome, blood-heat syndrome, and blood-dryness syndrome. Psoriasis vulgari with blood-heat syndrome is characterized by bright red papules with pruritus. Although the exact pathogenesis of psoriasis is not totally understood, interleukin-17 (IL-17), interleukin-23 (IL-23) and helper T cells type 17 (Th17) axis has been identified as key drivers of PV pathogenesis\u003csup\u003e[3]\u003c/sup\u003e. Topical therapy (corticosteroids, vitamin D3 analogues and calcineurin inhibitors), oral systemic therapies(methotrexate, ciclosporin and acitretin)\u003csup\u003e[4]\u003c/sup\u003e, phototherapy (UVA and UVB) and biologics (anti-TNF\u0026alpha;, anti-IL17, anti-IL-12p40 or IL-23p40 and anti-IL-23p19) remain the main therapies for psoriasis. However, none of them can cure psoriasis and these medications had obvious systemic side effects\u003csup\u003e[5]\u003c/sup\u003e. Therefore, it is very urgent to develop new anti-psoriatic medicine with low side effects.\u003c/p\u003e\n\u003cp\u003eTraditional Chinese medicine (TCM) has its unique advantages in disease management because of the characteristics of multiple components, multiple targets and multiple pathways. Qingre Liangxue Decoction(alias: Quyin Granule) has been used to treat psoriasis vulgari with blood-heat syndrome for over 20 years in China-Japan Friendship Hospital. As shown in our clinical observations, QRLXD shows good efficacy in clinical practice and is widely recognized by patients\u003csup\u003e[6]\u003c/sup\u003e. However, its active compounds, pharmacological effects and underlying mechanisms have not been studied yet.\u003c/p\u003e\n\u003cp\u003eAlthough there are many chemical components in traditional Chinese medicine, only the components absorbed can be the real effective components\u003csup\u003e[\u003c/sup\u003e7\u003csup\u003e]\u003c/sup\u003e. In order to explore the main components and predicts molecular biological mechanisms of QRLXD treating PV to the greatest extent, we used UPLC-Q‐TOF‐MS to profile and characterize chemical components of QRLXD and the absorbed constituents in rat sample after its oral administration, followed by targets prediction, protein association, GO and KEGG pathway analysis to explore the molecular mechanism of QRLXD using network pharmacology, and finally verified the results with molecular docking, increasing the possibility of the prediction results. In this paper, we explore the main components and predicts molecular biological mechanisms of QRLXD in treating PV, in order to provide relevant references for follow-up research.\u003c/p\u003e\n\u003cp\u003eThe flowchart of the present study is illustrated in Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e1\u003c/span\u003e.\u003c/p\u003e"},{"header":"2. Materials and methods","content":"\u003cdiv id=\"Sec3\" class=\"Section2\"\u003e\n\u003ch2\u003e2.1. Preparation of QRLXD\u003c/h2\u003e\n\u003cp\u003eQRLXD consists of 8 herbs (Table\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e1\u003c/span\u003e) and were purchased from China-Japan Friendship Hospital. To prepare the QRLXD solution, all 8 herbs were soaked with distilled water for 1h .Then the materials of QRLXD were co-decocted in water twice. Water added in the first decoction was 12 times the total weight of the herbs for 1.5h. In the second decoction, it was 10 times the total weight of the herbs for 1h. The two decoctions were then combined and concentrated to 1g/mL and were stored at 4\u0026deg;C.\u003c/p\u003e\n\u003cdiv class=\"gridtable\"\u003e\n\u003cdiv class=\"colspec\" align=\"left\"\u003e\u0026nbsp;\u003c/div\u003e\n\u003cdiv class=\"colspec\" align=\"char\"\u003e\u0026nbsp;\u003c/div\u003e\n\u003ctable id=\"Tab1\" border=\"1\"\u003e\u003ccaption\u003e\n\u003cdiv class=\"CaptionNumber\"\u003eTable 1\u003c/div\u003e\n\u003cdiv class=\"CaptionContent\"\u003e\n\u003cp\u003eChinese traditional medical herbs of QRLXD\u003c/p\u003e\n\u003c/div\u003e\n\u003c/caption\u003e\n\u003cthead\u003e\n\u003ctr\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eChinese name\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eAccepted scientific name\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003ePlant part\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eBatch number\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eAmount (g)\u003c/p\u003e\n\u003c/th\u003e\n\u003c/tr\u003e\n\u003c/thead\u003e\n\u003ctbody\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eBaiying\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eSolanum lyratum Thunb.\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHerb\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e220916002\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e15\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eShemei\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eDuchesnea indica (Andr.) Focke\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHerb\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e221014001\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e10\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eZicao\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eArnebia euchroma (Royle) Johnst.\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRoot\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e220804001\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e15\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eTufuling\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eSmilacis Glabrae Rhizome\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRoot\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e220602002\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e15\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eBaihuasheshecao\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHedyotis Diffusa\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHerb\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e230520002\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e15\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eChishao\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRadix Paeoniae Rubra\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRoot\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e220909001\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e15\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eMudanpi\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePaeonia suffruticosa Andrews\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eCortex\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e220827001\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e15\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eShengdihuang\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRehmanniae Radix\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRoot\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e230421002\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e15\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003c/tbody\u003e\n\u003c/table\u003e\n\u003c/div\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec4\" class=\"Section2\"\u003e\n\u003ch2\u003e2.2. Materials and Reagents\u003c/h2\u003e\n\u003cp\u003e3,4-Dihydroxybenzoic acid(PCS220412), Gallic acid(PCS221026), Paeonol(PCS220425), Paeoniflorin (PCS220425), 5-O-caffeoylshikimic acid(PCS220314), Desacetyl asperulosidic acid (PCS220620), Rehmannioside D(PCS221110), Paeonolide(PCS221203), Forsythoside E(PCS220806), Oxypaeoniflorin(PCS220412), Benzoylpaeoniflorin(PCS220412), and Caffeic(PCS220412) were purchased from Chengdu HerbSubstance Co.,Ltd.(purity\u0026thinsp;\u0026ge;\u0026thinsp;98%). Ultra-pure water was prepared using a Milli-Q water purification system (Bedford, France). Acetonitrile and methanol were of UPLC grade (Merck, Darmstadt, Germany). All other reagents were of analytical grade. LC Ultimate 3000 Series System tandem Q Exactive\u0026trade; Hybrid Quadrupole-Orbitrap\u0026trade; Mass Spectrometer (Thermo Scientific, US) was utilized.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec5\" class=\"Section2\"\u003e\n\u003ch2\u003e2.3. Animals and treatments\u003c/h2\u003e\n\u003cp\u003e12 SD male rats (220\u0026thinsp;\u0026plusmn;\u0026thinsp;20g) were purchased from the Beijing Vital River Laboratory Animal Technology Co., Ltd [SCXY(Jing)2021-0006] and were kept at an ambient temperature (22\u0026ndash;26\u0026deg;C) and humidity (40\u0026ndash;70%), under a 12h light-dark cycle, had free access to food and drinking sterile water for 7 days before the experiment. All animal experiment protocols were approved by the Animal Ethics Committee of Beijing University of Chinese Medicine (approval number: BUCM-2023091002-3198).\u003c/p\u003e\n\u003cp\u003e12 rats were randomly divided into 2 groups (n\u0026thinsp;=\u0026thinsp;6/group): the normal control (NC) group, the QRLXD group (8.3g/ml). Rats were administered drugs or 0.9% normal saline orally once a day for 3 days. On the 4th day, under sodium pentobarbital, the mice were euthanized by cervical dislocation, and their organs and orbital blood were collected for UHPLC-Q-TOF-MS Analysis.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec6\" class=\"Section2\"\u003e\n\u003ch2\u003e2.4. Sample Collection and Pretreatment Method\u003c/h2\u003e\n\u003cp\u003eBlood Sample: Blood samples were collected from the orbital blood about 0.3mL at 0.5h, 1h, 1.5h, 2h after the last administration of QRLXD and left to stand at room temperature for 30min in the anticoagulation tube and then centrifuged at 3000 rpm/min for 10 min at 4\u0026deg;C to obtain serum, then 200L methanol was added to each 100\u0026micro;L serum and vortexed for 3 min. Blood samples were centrifuged at 13000 rpm/min at 4\u0026deg;C for 15min. After transferring to a new centrifuge tube, the supernatant was dried with nitrogen at 40\u0026deg;C and the residue was reconstituted in 100\u0026micro;L of methanol. The supernatant was centrifuged at 13000 rpm/min at 4\u0026deg;C for 15min and prepared for UHPLC-Q-TOF-MS analysis.\u003c/p\u003e\n\u003cp\u003eOrgan Sample: Following exsanguination, heart, liver, spleen, lung, kidney, brain were rapidly sampled from the mice, rinsed with normal saline and blotted onto a filter paper. 2.0g of tissues was homogenized in 0.9% sodium chloride solution (1:1, w/v) to prepare the homogenate (0.2 g/mL).Then,organ samples were centrifuged at 13000rpm/min at 4\u0026deg;C for 15min. After transferring to a new centrifuge tube, methanol(1:3, w/v) was added to each 100\u0026micro;L sample.The supernatant was centrifuged at 13000 rpm/min at 4\u0026deg;C for 15min and prepared for UHPLC-Q-TOF-MS analysis.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec7\" class=\"Section2\"\u003e\n\u003ch2\u003e2.5. UHPLC-Q-TOF-MS Analysis\u003c/h2\u003e\n\u003cp\u003eThe HPLC conditions: Chromatographic analysis was performed using a Waters ACQUITY UHPLC BEH C\u003csub\u003e18\u003c/sub\u003e Column(2.1\u0026times;150mm, 2.6\u0026micro;m). The mobile phase consisted of methanol (A) and 0.1% formic acid-water solution (B). The gradient profile was as follows: (0-10min, 2%-50%A;10-25min, 50%-95%A;) with the flow rate kept at 0.3mL/min. The column temperature was 40\u0026deg;C, the volume injected was 3\u0026micro;l.Mass spectrum conditions: Mass spectrometry analysis was performed using a heated electrospray ionization (HESI) source. The full scan range was m/z100-1500Da and the spray voltage was 3.5kV. During the analysis, other operating parameters used for MS analysis were 40arb for sheath gas flow, 10arb for auxiliary gas flow rate, 320\u0026deg;C for spray temperature, 350\u0026deg;C for Aux gas heater temperature. The resolution of MS and MS/MS was set at 70000 and 35000, respectively.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec8\" class=\"Section2\"\u003e\n\u003ch2\u003e2.6. Target collection of QRLXD and PV\u003c/h2\u003e\n\u003cp\u003eThe potential targets of the compounds were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP, \u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://lsp.nwu.edu.cn/tcmsp.php\u003c/span\u003e\u003c/span\u003e)\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e8\u003c/sup\u003e\u003csup\u003e,\u003c/sup\u003e\u003csup\u003e9\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e and swisstargetprediction database (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://www.swisstargetprediction.ch/)\u003c/span\u003e\u003c/span\u003e\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e10\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003e.Th\u003c/span\u003e\u003c/span\u003ee obtained targets were imported into UniProt database (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://www.UniProt.org/\u003c/span\u003e\u003c/span\u003e) for gene name transformation. Genes related to PV were acquired from five databases, including the GeneCards databases (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://www.genecards.org/\u003c/span\u003e\u003c/span\u003e)\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e11\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e, the OMIM database (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://www.omim.org/)\u003c/span\u003e\u003c/span\u003e\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e12\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003e,th\u003c/span\u003e\u003c/span\u003ee Therapeutic Target database(TTD, \u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://db.idrblab.net/ttd/\u003c/span\u003e\u003c/span\u003e)\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e13\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e, DrugBank database (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://go.drugbank.com/)\u003c/span\u003e\u003c/span\u003e\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e14\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ean\u003c/span\u003e\u003c/span\u003ed PharmGkb database(\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://www.pharmgkb.org/)\u003c/span\u003e\u003c/span\u003e\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e15\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003e,usin\u003c/span\u003e\u003c/span\u003eg \u0026ldquo;psoriasis vulgari\u0026rdquo; as the keyword. Finally, the gene library of PV was established by eliminating repeated targets. The intersection targets between the PV-related genes and the predicted QRLXD targets were obtained and Jvenny (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://www.bioinformatics.com.cn\u003c/span\u003e\u003c/span\u003e)\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e16\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e was used to construct a Venn diagram for visualization.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec9\" class=\"Section2\"\u003e\n\u003ch2\u003e2.7. PPI network for core target selection\u003c/h2\u003e\n\u003cp\u003eThe potential targets of QRLXD against PV were imported into the STRING database (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://string-db.org\u003c/span\u003e\u003c/span\u003e)\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e17\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e. The species was limited to \u0026ldquo;Homo sapiens\u0026rdquo; and the confidence score was set to \u0026ge;\u0026thinsp;0.4. Cytoscape3.9.1 was used to construct a network of potential key targets and to perform a systematic analysis of the network parameters.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec10\" class=\"Section2\"\u003e\n\u003ch2\u003e2.8. GO and KEGG enrichment analysis\u003c/h2\u003e\n\u003cp\u003eMetascape(\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://metascape.org\u003c/span\u003e\u003c/span\u003e)\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e18\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e was used to analyze the enrichment of GO(gene ontology) annotation in the biological process(BP), cellular component(CC) and molecular function(MF) and KEGG(Kyoto encyclopedia of genes and genomes) pathway. Terms with P\u0026thinsp;\u0026lt;\u0026thinsp;0.01, minimum count of 3 and enrichment factor\u0026thinsp;\u0026gt;\u0026thinsp;1.5 were considered significant. Subsequently, GO and KEGG data were uploaded to the Bioinformatics (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttp://www.bioinformatics.com.cn/\u003c/span\u003e\u003c/span\u003e) platform for visual analysis.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec11\" class=\"Section2\"\u003e\n\u003ch2\u003e2.9. Construction of \u0026ldquo;QRLXD-compounds-target-pathway-PV\u0026rdquo; network\u003c/h2\u003e\n\u003cp\u003eThe components of QRLXD, the common target genes of QRLXD and PV, and the top 20 signaling pathways of the genes by KEGG analysis were selected as nodes. The corresponding relationships were constructed into a visual \u0026ldquo;QRLXD-compounds-target-pathway-PV\u0026rdquo; network with Cytoscape 3.9.1 software and use Cyto NCA for topology analysis. The main active ingredients of QRLXD in the treatment of PV with blood-heat syndrome were screened according to degree centrality (DC), closeness centrality (CC) and betweenness centrality (BC).\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec12\" class=\"Section2\"\u003e\n\u003ch2\u003e2.10. Molecular Docking Analysis\u003c/h2\u003e\n\u003cp\u003eThe top five compounds from the core QRLXD compounds were selected for molecular docking with the most important proteins from the core targets in PPI for PV treatment. Drug molecule structures were downloaded from PubChem databases (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://pubchem.ncbi.nlm.nih.gov/\u003c/span\u003e\u003c/span\u003e)\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e19\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e. The targets crystal structure was acquired from the PDB protein database (\u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://www.rcsb.org/\u003c/span\u003e\u003c/span\u003e)\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e20\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e, imported into AutoDockTools1.5.7, dehydrated, hydrogenated, and used for ligand separation. The PDBIDs were TNF(6Q01), ALB(3MRK) and AKT1 (1UNQ). AutoDockVina and PyMOL software were used for molecular docking and visualization.\u003c/p\u003e\n\u003c/div\u003e"},{"header":"3. Results","content":"\u003cdiv id=\"Sec14\" class=\"Section2\"\u003e\n\u003ch2\u003e3.1. Identification of compounds in QRLXD\u003c/h2\u003e\n\u003cp\u003eA total of 68 chemical constituents were identified, including 20 monoterpenoids, 8 iridoid glycosides, 10 phenolic acids, 4 glycosides, 2 organic acids, 2 phenylethanolsides, 1 penylpropanoid, 2 coumarins, 1 alkaloids, 1 flavonoids, 1 cyclic peptides, 1 naphthoquinone,1 furfural, 4 pentagalloylglucose and 8 other groups, shown in Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e2\u003c/span\u003e. 13 compounds were confirmed by comparison with reference standards.\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec15\" class=\"Section2\"\u003e\n\u003ch2\u003e3.2. Analysis of Prototype Constituents of QRLXD in Rat Sample\u003c/h2\u003e\n\u003cp\u003eThe rat sample was analyzed by UHPLC-Q-TOF-MS method. The BPIs of QRLXD absorbed in vivo are shown in Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e3\u003c/span\u003e. According to the accurate mass and secondary fragment, the chemical compounds in QRLXD and rat sample were identified through comparison with data of chemical components of QRLXD.18 ingredients were identified in vivo and found the source in Table\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e3\u003c/span\u003e.\u003c/p\u003e\n\u003cp\u003e\u0026nbsp;\u003c/p\u003e\n\u003cdiv class=\"gridtable\"\u003e\n\u003ctable id=\"Tab2\" border=\"1\"\u003e\u003ccaption\u003e\n\u003cdiv class=\"CaptionNumber\"\u003eTable 3\u003c/div\u003e\n\u003cdiv class=\"CaptionContent\"\u003e\n\u003cp\u003eIdentification of chemical constituents of QRLXD absorbed by UPLC-Q-TOF-MS\u003c/p\u003e\n\u003c/div\u003e\n\u003c/caption\u003e\n\u003cthead\u003e\n\u003ctr\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eNO.\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eIdentity\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eFormula\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eAdduct Type\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eAverage\u0026nbsp;m/z\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eRT (min)\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eMS/MS Spectrum\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eSource\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eCategory\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eDistribution\u003c/p\u003e\n\u003c/th\u003e\n\u003c/tr\u003e\n\u003c/thead\u003e\n\u003ctbody\u003e\n\u003ctr\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003e1\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003esucrose or maltose or palatinose\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e12\u003c/sub\u003eH\u003csub\u003e22\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e341.1089\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e1.07\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e119.0330,113.0229,89.0229,71.0136\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003ePSA、RPR、RR、HD、SLT\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003eother\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e365.1052\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e1.09\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e365.1054,310.1934,203.0526\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e2\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e8-debenzoylpaeoniflorin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e24\u003c/sub\u003eO\u003csub\u003e10\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e399.1260\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e1.7\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e237.0736\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eheart;liver;kidney;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e3\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e1-O-galloyl-\u0026beta;-D-glucose or isomer\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e13\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eO\u003csub\u003e10\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e331.0673\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e1.89\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e169.0142\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003epentagalloylglucose\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e4\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003etyrosine\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e9\u003c/sub\u003eH\u003csub\u003e11\u003c/sub\u003eNO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e182.0811\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e1.99\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e136.0609\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eother\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eheart;spleen;lung;kidney;brain;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e5\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e5-hydroxymethylfurfural\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e6\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e125.0245\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e2.21\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e124.0167,123.0087,97.0295,95.0139,\u003c/p\u003e\n\u003cp\u003e79.0190,69.0346\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003efurfural\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e6\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003escandoside\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e22\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e389.1087\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e2.51\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e209.0455,183.0657,165.0557,147.0451\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eiridoid glycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e7\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003egallic acid*\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e7\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e169.0144\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e2.57\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e125.0246,124.0165, 107.0138, 97.0295,81.0346,79.0189,69.0346\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR、RPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e8\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eadenosine\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e10\u003c/sub\u003eH\u003csub\u003e13\u003c/sub\u003eN\u003csub\u003e5\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e268.1041\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e2.58\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e136.0618,119.0353\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eother\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eliver;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e9\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e1-O-galloyl-\u0026beta;-D-glucose\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e13\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eO\u003csub\u003e10\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e331.0673\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e2.79\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e213.9121,169.0143,124.0164\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003epentagalloylglucose\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e10\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e1-O-\u0026beta;-D-glucopyranosylp-paeonisuffrone or isomer\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e24\u003c/sub\u003eO\u003csub\u003e9\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e405.1404\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e3.14\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e359.1344,197.0819,179.0713,122.0372\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eother\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e11\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eacetylcatalpol or methyl (1S,4aS,5R,7aS)-1-(\u0026beta;-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e17\u003c/sub\u003eH\u003csub\u003e24\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e403.1248\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e3.46\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e195.0659,179.0561\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eiridoid glycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e12\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003edeacetylasperulosidic acid*\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e22\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e389.1087\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e3.78\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e227.0571,209.0455,191.0356,183.0663, 165.0556,147.0453\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eiridoid glycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eKidney;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e13\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e6-O-galloylsucrose\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e19\u003c/sub\u003eH\u003csub\u003e26\u003c/sub\u003eO\u003csub\u003e15\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e493.1205\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e3.81\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e331.0667,313.0567,169.0142,125.0244\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003epentagalloylglucose\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e14\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003esyringic acid or ethyl gallate\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e9\u003c/sub\u003eH\u003csub\u003e10\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e197.0456\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e3.83\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e123.0452\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eSGR、PSA、RPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e15\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003erehmannioside D\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e27\u003c/sub\u003eH\u003csub\u003e42\u003c/sub\u003eO\u003csub\u003e20\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e731.2261\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e3.87\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e685.2211,505.1548,343.1023,341.1100, 323.0983,263.0771,221.0666,181.0506, 179.0560, 161.0456,89.0244\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eiridoid glycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e16\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003egentisic acid5-O-glucoside\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e13\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eO\u003csub\u003e9\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e315.0724\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e3.89\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e152.0115,108.0217\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eother\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e17\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emudanoside B\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e18\u003c/sub\u003eH\u003csub\u003e24\u003c/sub\u003eO\u003csub\u003e14\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e463.1098\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e3.92\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e403.0879,373.0779,343.0671,301.0566,241.0354,169.0142,125.0244\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e18\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003egalloylsurose or isomer\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e19\u003c/sub\u003eH\u003csub\u003e26\u003c/sub\u003eO\u003csub\u003e15\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e493.1205\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e4.04\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e331.0672,313.0567,169.0142,125.0244\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003epentagalloylglucose\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e19\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eprotocatechuic acid\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e7\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e153.0195\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e4.13\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e109.0297,108.0217,91.0189\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR、HD、RPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e20\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emudanoside A\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e14\u003c/sub\u003eH\u003csub\u003e18\u003c/sub\u003eO\u003csub\u003e9\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e329.0881\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e4.45\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e167.0349\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e21\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003edecaffeoyl verbascoside or forsythoside E\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e20\u003c/sub\u003eH\u003csub\u003e30\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e461.1666\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e4.92\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e461.1703,315.1088,135.0452,85.0295\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenylethanolsides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e22\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ep-hydroxybenzoic acid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e7\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e137.0244\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e4.96\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e137.0249,119.0138\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eSLT、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eliver;spleen;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e23\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003egalloyl desbenzoyl paeoniflorin or isomer\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e23\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e14\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e527.1408\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e5.27\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e527.1407,497.1302,451.1270\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e24\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e8-epiloganic acid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e24\u003c/sub\u003eO\u003csub\u003e10\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e375.1299\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e5.32\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e213.0770,169.0869,151.0765,119.0348,113.0244,89.0244\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eiridoid glycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eheart;spleen;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003e25\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003eunknown\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e17\u003c/sub\u003eH\u003csub\u003e24\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e419.1198\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e5.67\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e401.1078,357.1222,239.0558,221.0457,195.0662,177.0556\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e443.1159\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e5.68\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e263.0529,203.0527,185.0424\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e26\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ep-hydroxy-cinnamic acid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e9\u003c/sub\u003eH\u003csub\u003e8\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e163.0401\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e5.75\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e119.0502,93.0345\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eDIF、HD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003epenylpropanoid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003espleen;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e27\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003easperuloside acid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e18\u003c/sub\u003eH\u003csub\u003e24\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e431.1198\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e5.77\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e431.1232,251.0550,225.0760,165.0558\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eiridoid glycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e28\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e10-acetyl scandoside\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e18\u003c/sub\u003eH\u003csub\u003e24\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e455.1158\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e5.80\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e275.0524,249.0730,185.0424\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e29\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eoxypaeoniflora\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e23\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e519.1472\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e5.96\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e519.1473,381.1159,357.0938,323.0732,219.0625,185.0420\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e30\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eoxypaeoniflora isomer\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e23\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e541.1564\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e5.99\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e495.1511,477.1395,465.1383,333.0987\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e31\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eunknown\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e26\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e14\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e563.1378\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.00\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e563.1617\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e32\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003equinic acid derivative\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e18\u003c/sub\u003eO\u003csub\u003e9\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e353.0882\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.14\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e191.0561,135.0452\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eother\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e33\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e3-hydroxycoumarin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e9\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e163.0389\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.16\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e117.0333, 107.0490, 89.0385\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ecoumarins\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eliver;brain;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e34\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003echlorogenic acid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e18\u003c/sub\u003eO\u003csub\u003e9\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e355.1021\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.24\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e191.0562\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e35\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ebrevifolin carboxylic acid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e13\u003c/sub\u003eH\u003csub\u003e8\u003c/sub\u003eO\u003csub\u003e8\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]-\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e291.0150\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.54\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e247.0247\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eDIF\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e36\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ecatalpin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e22\u003c/sub\u003eH\u003csub\u003e26\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e483.1471\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.61\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e483.1468\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eiridoid glycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e37\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ealbiflorin R1 or isomer\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e23\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e525.1614\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.62\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e167.035\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eblood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd rowspan=\"4\" align=\"left\"\u003e\n\u003cp\u003e38\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"4\" align=\"left\"\u003e\n\u003cp\u003epaeoniflorin\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"4\" align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e23\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e503.1521\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.65\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e503.1519\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"4\" align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"4\" align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"4\" align=\"left\"\u003e\n\u003cp\u003eliver;spleen;kidney;brain;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e481.1702\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.66\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e197.0810,179.0703,121.0647,105.0335\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e525.1614\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e9.15\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e449.1443,327.1087,165.0556,121.0294\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H\u0026thinsp;+\u0026thinsp;Cl]-\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e515.1325\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e9.19\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e449.1433\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e39\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eapiopaeonoside\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e20\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e505.1567\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.97\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e293.0885,233.0666,165.0556,150.0324\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eglycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e40\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003epaeonolide\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e20\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e483.1471\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e6.98\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e483.1452,317.0843\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eglycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e41\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003edeacetylasperuloside\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e20\u003c/sub\u003eO\u003csub\u003e10\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e371.0985\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.21\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e249.0613,231.0506,121.0295\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eiridoid glycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e42\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e6'-O-\u0026beta;-glucopyranosylalbiflorin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e29\u003c/sub\u003eH\u003csub\u003e38\u003c/sub\u003eO\u003csub\u003e16\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e687.2152\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.28\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e611.1968,593.1880,519.1724, 489.1617,479.1532,121.0295\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e43\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eethyl benzoylformate\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e10\u003c/sub\u003eH\u003csub\u003e10\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e179.0702\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.34\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e161.0595,133.0648,105.0699,79.0541\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eother\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eheart;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e44\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emoudanpioside Ⅰ\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e23\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e479.1556\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.44\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e121.0294\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e45\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ealbiflorin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e23\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e503.1521\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.49\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e503.1519,341.1000,219.0630\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e46\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e4-methoxycinnamic acid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e10\u003c/sub\u003eH\u003csub\u003e10\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e179.0702\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.51\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e133.0649,77.0384\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eHD\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003epenylpropanoid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eheart;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e47\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emoudanpioside E\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e24\u003c/sub\u003eH\u003csub\u003e30\u003c/sub\u003eO\u003csub\u003e13\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e525.1614\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.52\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e449.1455,327.1085,177.0553,165.0556,121.0295,123.0452\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eblood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e48\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ecaffeic acid\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e9\u003c/sub\u003eH\u003csub\u003e8\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e181.0494\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.71\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e163.0390,135.0440,107.0490\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eSGR、RR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e49\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e5-O-caffeoylshikimic acid\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eO\u003csub\u003e8\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e335.0774\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.72\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e179.0349,161.0244,135.0452\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eSGR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eflavonoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e50\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003esuffruticoside B/D\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e27\u003c/sub\u003eH\u003csub\u003e32\u003c/sub\u003eO\u003csub\u003e16\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e611.162\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e7.81\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e611.1622,445.0989,301.0573,283.0454, 211.0250,169.0142,165.0557,125.0245\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eglycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e51\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003escopoletin\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e10\u003c/sub\u003eH\u003csub\u003e8\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e193.0496\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e8.03\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e193.0499,178.0259,150.0312,137.0597,133.0284,105.0032\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ecoumarins\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eheart;lung;brain;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003e52\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003emoudanpioside D\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e24\u003c/sub\u003eH\u003csub\u003e30\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e555.1719\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e8.13\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e479.1566,327.1082,165.0556,151.0401\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd rowspan=\"2\" align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e533.1627\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e8.14\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e533.1625,371.1098\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e53\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003esuffruticoside A/C\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e27\u003c/sub\u003eH\u003csub\u003e32\u003c/sub\u003eO\u003csub\u003e16\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e611.162\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e8.41\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e611.1614,445.0988,301.0572,169.0142,165.0556,125.0244\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eglycosides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e54\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003epaeoniflorin derivative\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e11\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e197.1172\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e8.51\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e179.1077,161.0960,137.0603,135.1168,123.1167,109.0648\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e55\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eresacetophenone\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e8\u003c/sub\u003eH\u003csub\u003e8\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e151.0401\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e8.67\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e135.0089\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e56\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003egalloylpaeoniflorin or isomer\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e30\u003c/sub\u003eH\u003csub\u003e32\u003c/sub\u003eO\u003csub\u003e15\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e631.1673\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e8.86\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e631.1669,613.1561,509.1290,491.1197, 463.1256,399.0932, 375.0715,331.0676,313.0564,271.0460,241.0350, 211.0249,169.0139,125.0244,121.0296\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e57\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eacetoxypaeoniflorin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e25\u003c/sub\u003eH\u003csub\u003e30\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e567.1721\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e9.28\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e491.1544,121.0294\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e58\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ebenzoic acid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e7\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eO\u003csub\u003e2\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e121.0295\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e9.37\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e121.0292\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eorganic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eheart;liver;spleen;lung;kidney;brain;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e59\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003elactiflorin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e23\u003c/sub\u003eH\u003csub\u003e26\u003c/sub\u003eO\u003csub\u003e10\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;COOH]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e507.1509\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e9.77\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e339.1083,121.0294\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e60\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eellagic acid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e14\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eO\u003csub\u003e8\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e300.9992\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e10.17\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e300.9989, 257.0085,229.0141,201.0193,185.0245\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e61\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e16,23-oxide-22,26-epimino\u003c/p\u003e\n\u003cp\u003e-cholest\u003c/p\u003e\n\u003cp\u003e-22(N),23,25-3-ene-3\u0026beta;-ol-3-O-\u0026beta;-D-glucopyranosyl-(1\u0026rarr;2)-\u0026beta;-D-glucopyranosyl-(1\u0026rarr;6)-\u0026beta;-D-galactopyranosid\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e45\u003c/sub\u003eH\u003csub\u003e69\u003c/sub\u003eNO\u003csub\u003e17\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e896.4631\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e11.27\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e896.4620\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eSLT\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ealkaloids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e62\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ecyclo hexaleucyl or isoleucyl\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e36\u003c/sub\u003eH\u003csub\u003e66\u003c/sub\u003eN\u003csub\u003e6\u003c/sub\u003eO\u003csub\u003e6\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e679.5110\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e11.69\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e679.5111,661.5009,435.3366\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ecyclic peptides\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eheart;liver;spleen;lung;kidney;brain;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e63\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eacetovanillone or paeonol\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e9\u003c/sub\u003eH\u003csub\u003e10\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e167.0702\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e12.53\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e149.0599,122.0681,121.0647, 110.0363, 106.0412,105.0448,84.9596,78.0463\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ephenolic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e64\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ebenzoylpaeoniflorin or isomer\u003csup\u003e*\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e30\u003c/sub\u003eH\u003csub\u003e32\u003c/sub\u003eO\u003csub\u003e12\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e607.1782\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e12.70\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e607.1777,485.1431,105.0336\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRPR、PSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e65\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emudanpioside B/J\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e14\u003c/sub\u003eH\u003csub\u003e6\u003c/sub\u003eO\u003csub\u003e8\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e629.1879\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e12.71\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e553.1738,431.1344,413.1247, 165.0556,121.0295\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ePSA\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003emonoterpenoids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e66\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ecorchorifatty acid F\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e31\u003c/sub\u003eH\u003csub\u003e34\u003c/sub\u003eO\u003csub\u003e14\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M-H]\u003csup\u003e\u0026minus;\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e327.2179\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e15.25\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e211.1340,171.1026,85.0296\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eorganic acids\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e-\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e67\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003edibutyl phthalate\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e18\u003c/sub\u003eH\u003csub\u003e32\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;H]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e279.1588\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e21.24\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e149.0236,121.0285,57.0703\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eRR\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eother\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003ebrain\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e68\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003edes-O-methyllasiodiplodin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eC\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e22\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e[M\u0026thinsp;+\u0026thinsp;Na]\u003csup\u003e+\u003c/sup\u003e\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e301.1408\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e22.16\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e149.7017\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eAEJ\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003enaphthoquinone\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eheart;spleen;lung;brain;blood;\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003c/tbody\u003e\n\u003c/table\u003e\n\u003c/div\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec16\" class=\"Section2\"\u003e\n\u003ch2\u003e3.3. Network Pharmacology Analysis\u003c/h2\u003e\n\u003cdiv id=\"Sec17\" class=\"Section3\"\u003e\n\u003ch2\u003e3.3.1 Potential Targets of the Active Ingredient of QRLXD\u003c/h2\u003e\n\u003cp\u003eBased on the results of UPLC-ESI-MS/MS, 523 compound-related targets of QRLXD were acquired through database. A total of 1312 psoriasis disease targets were obtained from the GeneCards, OMIM, Therapeutic Target, DrugBank and PharmGkb databases, after removing the repeated gene targets. Altogether 129 overlapping targets of QRLXD and PV were visualized by a Venn diagram (Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e4\u003c/span\u003eA). The 129 overlapping genes were selected for protein-protein interaction (PPI) analysis by the STRING database and constructed by Cytoscape3.9.1 software. The PPI network formed 129 nodes and 1815 edges (Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e4\u003c/span\u003eB). Select targets with Degree\u0026thinsp;\u0026ge;\u0026thinsp;61 as the core target, and TNF, ALB and AKT1 were considered to be key targets(Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e4\u003c/span\u003eC).\u003c/p\u003e\n\u003cp\u003e\u0026nbsp;\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec18\" class=\"Section3\"\u003e\n\u003ch2\u003e3.3.2. GO and KEGG pathway enrichment analysis\u003c/h2\u003e\n\u003cp\u003eTo further explore the potential mechanisms of QRLXD in the treatment of PV, we performed a GO and KEGG pathway enrichment analysis of the common targets. GO enrichment analysis showed that 1488 items in three categories were enriched : 1281 biological processes (BP), 116 molecular functions (MF), and 91 cellular components (CC). The top 10 significantly enriched terms in the three categories (P\u0026thinsp;\u0026lt;\u0026thinsp;0.05) were shown in Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e5\u003c/span\u003eA. The most highly enriched BP terms were selected as positive regulation of phosphorylation, positive regulation of protein phosphorylation, response to hormone, protein phosphorylation, positive regulation of transferase activity, etc. Highly enriched MF terms were identical protein kinase activity, phosphotransferase activity, alcohol group as acceptor, kinase activity, endopeptidase activity, peptidase activity, etc. The CC terms included side of membrane, membrane raft, membrane microdomain, lytic vacuole, lysosome, etc. Moreover, the KEGG enrichment analysis showed that the active components absorbed from QRLXD affected PV mainly through 162 signaling pathways. As shown in Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e5\u003c/span\u003eB, the top 20 enriched items included pathways in cancer,PI3K-Akt signaling pathway, Lipid and atherosclerosis, MAPK signaling pathway, IL-17 signaling pathway,etc.\u003c/p\u003e\n\u003cp\u003e\u0026nbsp;\u003c/p\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec19\" class=\"Section3\"\u003e\n\u003ch2\u003e3.2.3. QRLXD-compounds-target-pathway-PV network analysis\u003c/h2\u003e\n\u003cp\u003eThe \u0026ldquo;QRLXD-compounds-target-pathway-PV\u0026rdquo; network was constructed using Cytoscape 3.9.1 software, according to the target prediction results, and the active compounds of QRLXD absorbed in vivo; the core bioactive compounds included Dibutyl phthalate, Ethyl benzoylformate, Scopoletin, Albiflorin R1 and 3-Hydroxycoumarin (ranked by degree value). The degree value of network nodes is then analyzed using Network Analyzer. It is found that there are 169 nodes and 664 edges. (Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e6\u003c/span\u003e,Table\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e4\u003c/span\u003e)\u003c/p\u003e\n\u003cp\u003e\u0026nbsp;\u003c/p\u003e\n\u003cdiv class=\"gridtable\"\u003e\n\u003cdiv class=\"colspec\" align=\"char\"\u003e\u0026nbsp;\u003c/div\u003e\n\u003ctable id=\"Tab3\" border=\"1\"\u003e\u003ccaption\u003e\n\u003cdiv class=\"CaptionNumber\"\u003eTable 4\u003c/div\u003e\n\u003cdiv class=\"CaptionContent\"\u003e\n\u003cp\u003eThe top 5 degree of compounds in network diagram\u003c/p\u003e\n\u003c/div\u003e\n\u003c/caption\u003e\n\u003cthead\u003e\n\u003ctr\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eNo.\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eDrug\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eDC\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eBC\u003c/p\u003e\n\u003c/th\u003e\n\u003cth align=\"left\"\u003e\n\u003cp\u003eCC\u003c/p\u003e\n\u003c/th\u003e\n\u003c/tr\u003e\n\u003c/thead\u003e\n\u003ctbody\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e1\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eDibutyl phthalate\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e32\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e3731.1953\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e0.4169\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e2\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eEthyl benzoylformate\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e27\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e2748.7458\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e0.4068\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e3\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eScopoletin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e20\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e2108.4958\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e0.3898\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e4\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003eAlbiflorin R1\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e18\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e1410.3782\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e0.3844\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003ctr\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e5\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"left\"\u003e\n\u003cp\u003e3-Hydroxycoumarin\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e17\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e736.9761\u003c/p\u003e\n\u003c/td\u003e\n\u003ctd align=\"char\" char=\".\"\u003e\n\u003cp\u003e0.3862\u003c/p\u003e\n\u003c/td\u003e\n\u003c/tr\u003e\n\u003c/tbody\u003e\n\u003c/table\u003e\n\u003c/div\u003e\n\u003c/div\u003e\n\u003c/div\u003e\n\u003cdiv id=\"Sec20\" class=\"Section2\"\u003e\n\u003ch2\u003e3.3. Molecular docking verification and analysis\u003c/h2\u003e\n\u003cp\u003eThe docking results of the top five core active ingredients (Dibutyl phthalate, Ethyl benzoylformate, Scopoletin, Albiflorin R1, 3-Hydroxycoumarin) and the top three core targets (TNF:tumor necrosis factor, ALB:Albumin, AKT1:serine/threonine kinase 1), were shown in Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e5\u003c/span\u003e. Smaller binding energy leads to a more stable conformation. A docking score lower than \u0026minus;\u0026thinsp;5kcal/mol indicates that the ligand and protein can bind, while a docking score lower than \u0026minus;\u0026thinsp;7kcal/mol indicates that the binding activity is strong. The docking results showed that the core active ingredients had a favorable docking activity with the target proteins and were visualized in 3D(Fig.\u0026nbsp;\u003cspan class=\"InternalRef\"\u003e7\u003c/span\u003eA-G).\u003c/p\u003e\n\u003c/div\u003e"},{"header":"4. Discussion","content":"\u003cp\u003ePsoriasis is an inflammatory skin disease that is associated with many other medical conditions, and affects over 60\u0026nbsp;million adults and children worldwide\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e21\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e. Due to the safety and drug resistance, it is limited to use western medicines for long-term treatment of psoriasis. TCM has irreplaceable advantages in the treatment of chronic and complex diseases\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e22\u003c/sup\u003e\u003csup\u003e,\u003c/sup\u003e\u003csup\u003e23\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e. For orally administrated TCM recipe, profiling the absorbed constituents is critical to understand the pharmacodynamic material basis and the therapeutic mechanism of TCM formulas. Qingre Liangxue Decoction, originated from the classic formula Xijiao Dihuang Decoction, improves clinical symptoms of psoriasis significantly. This study explores the effective ingredients and potential effects of QRLXD in the treatment of PV through UHPLC-Q-TOF/MS, network pharmacology and molecular docking technology.\u003c/p\u003e\n\u003cp\u003eA total of 18 prototype components were identified in QRLXD in rat samples after oral administration of QRLXD, with the core components being Dibutyl phthalate, Ethyl benzoylformate, Scopoletin, Albiflorin R1 and 3-Hydroxycoumarin. Pharmacological research has shown that scopoletin and 3-Hydroxycoumarin belong to the coumarin compound family and possess antioxidant, anti-tumor, antiviral, anti-inflammatory, and neuroprotective effects. Scopoletin can induce cell apoptosis, regulate cell cycle, inhibit cancer cell proliferation, and angiogenesis by activating AMP-activated protein kinase (AMPK), epidermal growth factor receptor (EGFR), mitogen-activated protein kinase (MAPK)/extracellular signal-regulated kinase (ERK), phosphatidylinositol 3-kinase/Akt (PI3K/Akt), and signal transducer and activator of transcription 3 (STAT3), thereby exerting anti-inflammatory effects. Dibutyl phthalate downregulates the PI3K/AKT/mTOR signaling pathway to enhance cellular autophagy. Our results suggested that DBP and DEHP exposure at least partially activated the NOD2/RIP2/NF-\u0026kappa;B signal pathway in grass carp hepatocytes, and caused inflammatory response and apoptosis. In terms of hepatotoxicity, there was synergistic relationship between DBP and DEHP\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e24\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e. Albiflorin R1 inhibits the proliferation of J774 macrophages and exhibits immunomodulatory and anti-inflammatory effects. Ethyl benzoylformate belongs to the class of \u0026alpha;-keto esters, which undergo alcohol oxidation, decarbonylation, and decarboxylation reactions, thereby promoting the mutual reactions between Chinese medicinal materials and exerting therapeutic effects on psoriasis.\u003c/p\u003e\n\u003cp\u003eBased on the absorbed components, network pharmacology was used to analyze the key components and target proteins of QRLXD in treating psoriasis, and a comprehensive analysis of the \u0026ldquo;QRLXD-compounds-target-pathway-PV\u0026rdquo; network and PPI results identified TNF, ALB, AKT1, STAT3, and other proteins as potential key targets for therapeutic effects. TNF activates downstream kinases to modulate protein phosphorylation and promote pro-inflammatory effects\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e25\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e. Inhibiting TNF-\u0026alpha; expression can reduce the downstream inflammatory cascade reactions in psoriasis and alleviate the condition, improving the quality of life in psoriasis patients. ALB is the most abundant protein in plasma and can affect the activation of transcription factor nuclear factor-\u0026kappa;B by increasing intracellular glutathione levels, mediating the signal regulation of inflammatory cells and inhibiting inflammation. The circulating concentrations of albumin are response to inflammation, for the albumin with low levels indicative a wide range of conditions, including presence, persistence or improvement of malnutrition, infections and cancer\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e26\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e. AKT1, through the activation of the PI3K/Akt signal pathway, participates in physiological processes such as cell proliferation, differentiation, and apoptosis, inhibiting the proliferation of psoriatic keratinocytes. STAT3 is highly expressed in psoriatic skin lesions\u003csup\u003e[\u003c/sup\u003e\u003csup\u003e27\u003c/sup\u003e\u003csup\u003e]\u003c/sup\u003e. Various cytokines such as IL-6, IL-20, IL-22, and growth factors, when bound to their receptors, activate STAT3 phosphorylation, inducing the differentiation of T cells into Th17 cells and the secretion of interleukin-17A and interleukin-22, thereby exacerbating psoriasis. Inhibiting STAT3 phosphorylation and reducing IL-17 production are important approaches for treating psoriasis. VEGFA regulates kinase activity, thereby controlling cell proliferation and enhancing microvascular permeability, which contributes to the treatment of psoriasis. The IL-17 signaling pathway activates keratinocytes to secrete cytokines and interleukins, and it synergistically activates the MAPK and NF-\u0026kappa;B signaling pathways with TNF-\u0026alpha;. Molecular docking simulations confirmed that the binding energies between the core targets and core components were all less than \u0026minus;\u0026thinsp;5 kcal/mol, indicating good binding affinity. Notably, Ethyl benzoylformate, Scopoletin and Albiflorin R1 showed higher binding activities with TNF, ALB, suggesting their close correlation with the occurrence and development of blood-heat type psoriasis.\u003c/p\u003e\n\u003cp\u003eIn this study, by integrating UHPLC-Q-TOF-MS/MS, network pharmacology, and molecular docking simulations, the potential pharmacological and molecular mechanisms of QRLXD in treating psoriasis vulgaris with blood-heat syndrome were systematically revealed. The key active substances in QRLXD includes Scopoletin, Ethyl benzoylformate, Albiflorin R1, 3-Hydroxycoumarin and Dibutyl phthalate, which operated mainly through regulating targets and pathways related to inflammation, tumor invasion, metastasis and apoptosis, through multiple pathways and targets. This study provides initial insights into the potential effective components and mechanisms of the Qingre Liangxue Decoction in the treatment of psoriasis vulgaris with blood-heat syndrome.\u003c/p\u003e"},{"header":"5. Conclusions","content":"\u003cp\u003eIn summary, the present study first identified the chemical components in QRLXD and the effective compounds of QRLXD in vivo based on UHPLC-Q-TOF-MS/MS. Combining UHPLC-Q-TOF-MS/MS, network pharmacology, molecular docking, the method was constructed to systematically expose the potential pharmacological and molecular mechanism of action of QRLXD in PV treatment. Our research indicated that Scopoletin, Ethyl benzoylformate, Albiflorin R1, 3-Hydroxycoumarin and Dibutyl phthalate may be the main active compounds of QRLXD in PV treatment, and act on the protein target TNF, ALB and AKT1 through the pathways in cancer, PI3K/Akt signaling pathway. Generally, the findings will provide a theoretical basis for the application of QRLXD and for further research on the mechanism of QRLXD in the treatment of PV.\u003c/p\u003e \u003cp\u003e \u003c/p\u003e"},{"header":"Abbreviations","content":"\u003cp\u003eTCM \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; Traditional Chinese medicine\u003c/p\u003e\n\u003cp\u003eAKT1\u0026nbsp;\u0026nbsp;\u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; Serine/threonine kinase 1\u003c/p\u003e\n\u003cp\u003eTNF\u0026nbsp; \u0026nbsp; \u0026nbsp;\u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; Tumor necrosis factor\u003c/p\u003e\n\u003cp\u003eBC\u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp;\u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp;Betweenness centrality\u003c/p\u003e\n\u003cp\u003eCC\u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp;\u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp;Closeness centrality\u003c/p\u003e\n\u003cp\u003eDC\u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp;\u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; Degree centrality\u003c/p\u003e\n\u003cp\u003eGO \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; Gene ontology\u003c/p\u003e\n\u003cp\u003eKEGG \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp;Kyoto Encyclopedia of Genes and Genomes\u003c/p\u003e\n\u003cp\u003ePPI \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; \u0026nbsp; Protein-protein interaction\u003c/p\u003e\n\u003cp\u003eUHPLC-Q-TOF/MS \u0026nbsp;Ultra high-performance liquid chromatography equipped with quadrupole time of flight and mass spectrometer \u0026nbsp;\u003c/p\u003e"},{"header":"Declarations","content":"\u003ch3\u003eAuthor contributions\u003c/h3\u003e\n\u003cp\u003eJiayi Liu conceived and designed the study. Jiayi Liu and Rui Cai contributed to the reagent preparation and data analysis. Xiangnan Zhou performed the experiments and analyzed the data. Jiayi Liu and Doudou Wu wrote and revised the manuscript. Yanping Bai supervised the study. All authors read and approved the final manuscript.\u003c/p\u003e\n\u003ch3\u003eDeclaration of competing interest\u0026nbsp;\u003c/h3\u003e\n\u003cp\u003eThe authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.\u0026nbsp;\u003c/p\u003e\n\u003ch3\u003eData availability\u0026nbsp;\u003c/h3\u003e\n\u003cp\u003eThe datasets used and analyzed during the current study are available from the corresponding author upon reasonable request.\u003c/p\u003e\n\u003ch3\u003eFunding\u003c/h3\u003e\n\u003cp\u003eThis work was supported by the National Science Foundation of China (82074445).\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eContributor Information\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eYanping Bai, Email: [email protected].\u003c/p\u003e"},{"header":"References","content":"\u003col\u003e\n\u003cli\u003eArmstrong A. W., Read C. 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Journal of Hazardous Materials, 2021,123527,ISSN 0304-3894,https://doi.org/10.1016/j.jhazmat.2020.123527.\u003c/li\u003e\n\u003cli\u003eMohideen F , Paolo J , Ordureau A ,et al.Quantitative Phospho-proteomic Analysis of TNF\u0026alpha;/NF\u0026kappa;B Signaling Reveals a Role for RIPK1 Phosphorylation in Suppressing Necrotic Cell Death[J].Molecular \u0026amp; Cellular Proteomics Mcp,2017,16(7): 1200-1216.\u003c/li\u003e\n\u003cli\u003e\u0026nbsp; Sheinenzon A , Shehadeh M , Michelis R ,et al.Serum albumin levels and inflammation.[J].International journal of biological macromolecules, 2021, 184:857-862.DOI:10.1016/j.ijbiomac.2021.06.140.\u003c/li\u003e\n\u003cli\u003eSano, S. , \u0026nbsp;Chan, K. S. ,\u0026nbsp; Carbajal, S. ,\u0026nbsp; Clifford, J. ,\u0026nbsp; Peavey, M. , \u0026amp;\u0026nbsp; Kiguchi, K. , et al. (2005). Stat3 links activated keratinocytes and immunocytes required for development of psoriasis in a novel transgenic mouse model. Nature medicine, 11(1), 43-9.\u003c/li\u003e\n\u003c/ol\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":"Qingre Liangxue Decoction, psoriasis vulgaris, network pharmacology, molecular docking, therapeutic mechanism","lastPublishedDoi":"10.21203/rs.3.rs-3806518/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-3806518/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003ch2\u003eBackground\u003c/h2\u003e \u003cp\u003ePsoriasis is a common, chronic, inflammatory papulosquamous skin disease which is difficult to be cured. Qingre Liangxue Decoction(QRLXD), originated from the classic formula Xijiao Dihuang Decoction, as a famous classical prescription for the treatment of psoriasis vulgaris (PV) with blood-heat syndrome in the traditional Chinese medicine (TCM), shows good efficacy in clinical practice. Since the mechanism of action is still unclear, this article was aimed to profile the absorbed prototype constituents in rat serum after its oral administration and explore the molecular mechanism of QRLXD using network pharmacology and molecular docking technology.\u003c/p\u003e\u003ch2\u003eMethods\u003c/h2\u003e \u003cp\u003eFirst, chemical components of QRLXD absorbed in vivo were comprehensively analyzed by Ultra high performance liquid chromatography-high resolution mass spectrometry (UPLC-Q-Exactive-Orbitrap-MS) method. The Swiss Target Prediction was used to predict corresponding potential target genes of active compounds. Simultaneously, 5 disease databases were used to search and filter psoriasis vulgaris (PV) with blood-heat syndrome targets, and then we constructed a protein-protein interaction (PPI) network. Metascape were utilized for GO and KEGG enrichment analysis. After that, we constructed a network of \"QRLXD-compounds-target-pathway-PV\" by Cytoscape. Molecular docking simulation was conducted to further refine the drug-target interaction by AutoDock software.\u003c/p\u003e\u003ch2\u003eResults\u003c/h2\u003e \u003cp\u003eA total of 68 ingredients were identified in vitro and 18 ingredients in vivo, targeting 523 proteins, among which 129 were related to psoriasis. The protein with a higher degree in the PPI network is TNF, ALB, AKT1, STAT3 and EGFR. 1488 GO biological process items and 162 KEGG signal pathways were enriched. GO and KEGG indicated that QRLXD treatment of psoriasis mainly involves protein kinase activity, protein tyrosine kinase activity, phosphotransferase activity, alcohol group as acceptor and other biological processes.The signaling pathways mainly include the pathways in cancer,PI3K-Akt ,MAPK and IL-17 signaling pathways. The main compounds and the target protein had a good binding ability in molecular docking. The molecular docking results revealed that Dibutyl phthalate, Ethyl benzoylformate, Scopoletin, Albiflorin R1, 3-Hydroxycoumarin have higher affinity with TNF, ALB and AKT1.\u003c/p\u003e\u003ch2\u003eConclusion\u003c/h2\u003e \u003cp\u003eThis study suggests that QRLXD against PV with blood-heat syndrome through multiple components, multiple targets and multiple pathways. This study identified effective compounds of QRLXD in vivo and predicted potential molecular mechanisms of QRLXD in psoriasis treatment, serving as an important basis for the modernization of QRLXD.\u003c/p\u003e","manuscriptTitle":"Exploring the active components and potential mechanisms of Qingre Liangxue Decoction in the treatment of psoriasis vulgaris with blood-heat syndrome based on UHPLC-Q-exactive Orbitrap/MS and network pharmacology","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2024-01-01 04:38:56","doi":"10.21203/rs.3.rs-3806518/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":"9ab5789b-74af-4d99-af95-dac30370491f","owner":[],"postedDate":"January 1st, 2024","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2024-01-05T12:14:22+00:00","versionOfRecord":[],"versionCreatedAt":"2024-01-01 04:38:56","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-3806518","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-3806518","identity":"rs-3806518","version":["v1"]},"buildId":"qtupq5eGEP_6zYnWcrvyt","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}