Exploring the action mechanism of the Zhuanggan Zhuyu decoction on hepatic fibrosis based on network pharmacology and molecular docking
Objective:Based on network pharmacology and molecular docking,the potential targets and action mechanism of the Zhuanggan Zhuyu decoction(壮肝逐瘀煎)in the treatment of hepatic fibrosis was explored in this study.Methods:The active ingredients of the Zhuanggan Zhuyu decoction and their corresponding targets were screened through TCMSP and BATMAN-TCM databases.Through Disgenet,GeneCards,and OMIM databases,hepatic fibrosis related targets were predicted to obtain key targets of the Zhuanggan Zhuyu decoction in the treatment of hepatic fibrosis focusing on common targets.The obtained key targets were imported into the STRING database for analysis to construct a protein-protein interaction network,visualizing by Cytoscape 3.8.0 software.The GO function analysis and KEGG pathway enrichment analysis were performed on key targets by the Metascape database.AutoDock Vina software was used for molecular docking verification,and the results were visualized by PyMOL software.Results:The network pharmacology analysis showed that the core active ingredients of the Zhuanggan Zhuyu decoction in the treatment of hepatic fibrosis included quercetin,luteolin,vitamin D3,kaempferol,naringenin,and baicalin.The core targets included IL-6,IL-1β,TNF,AKT1,and EGFR,which mainly acted on hepatic fibrosis through PI3K-Akt,HIF-1,IL-17 and other signaling pathways.The molecular docking verification results suggested that the core targets had a strong affinity with the active ingredients of the core medicines.Conclusion:The results preliminarily reveal the effective ingredients and possible action mechanisms of the Zhuanggan Zhuyu decoction in the treatment of hepatic fibrosis,and provides scientific references for in-depth research on the pharmacological substance basis,action mechanism,and clinical application of the prescription.
The Zhuanggan Zhuyu decoctionHepatic fibrosisNetwork pharmacologyMolecular docking
万方数据
维普
