Network pharmacology-based strategy to investigate the molecular target and mechanism of Jiawei Linggui Zhugan decoction in the treatment of obesity

Background: Jiawei Ling Gui Zhu Gan Decoction (JW-LZD) is based on LingguiZhugan Decoction (LZD) and adds eight traditional Chinese medicines: Codonopsispilosula, Astragalus membranaceus, Yam, Epimedium, Morinda officinalis, TangerinePeel, Pinellia ternata and Coix Seed, which can be used for the treatment of obesityin the clinical. In this study, we determined the molecular targets and mechanismsinvolved in obesity treatment through network pharmacological analysis, andmolecular docking technology. Material and Methods. Related compounds wereobtained from the TCMSP.Oral bioavailability and drug-likeness were screened usingpharmacokinetic criteria. Molecular targets were identified in the drug-bank databaseand compared with obesity disease differential genes with P 0.5 obtained in the GEO-database to obtain cross genes and construct the TCMcompound disease regulation network. After constructing PPI, Go, and KEGGanalyses, the key active components and target genes were selected. Moleculardocking was carried out using AutoDock, and the best binding target was selected toselect the best binding target for molecular docking. Results. A total of 248 potentialcompounds and 30 strongly associated JW-LZD targets were identified. Pathwayenrichment analysis showed that putative JW-LZD targets mostly participated inadenylate cyclase-activating adrenergic receptor signaling, adrenergic receptorsignaling, regulation of signal receptor activity, coagulation, and other metabolicrelated biological processes. The molecular docking results showed that the key JWLZDcomponents have good potential to combine with the target genes ADRB2,ADRA2A, ADRA2C, CHEK1, CHEK2, and DGAT2. Conclusion. Our findingssuggest that JW-LZD prevent obesity through the molecular mechanisms predicted bynetwork pharmacology, providing a way to develop new combination medicines forobesity.