The action mechanism of treating hemorrhoids with the Zhining concentrated decoction based on network pharmacology and molecular docking method
Objective:To explore the potential action mechanism of Zhining concentrated decoction(痔宁浓煎剂)in the treatment of hemorrhoids by network pharmacology and molecular docking method.Methods:TCMSP was used to collect the main active components and action targets of each drug in Zhining concentrated decoction,and the protein names were corrected by UniProt database.Hemorrhoids related targets were obtained through GeneCards,OMIM,TTD and DrugBank databases.Common targets were obtained after the intersection of drug targets and disease targets.Protein-protein interaction network analysis of common targets was carried out by STRING database,and the topological characteristics were analyzed by Cytoscape 3.8.0 software to obtain the core targets.The Go enrichment analysis and KEGG pathway analysis of common targets were carried out through Metascape database.Finally,the molecular docking between the main drug active components and the core targets was verified through CB-Dock platform.Results:A total of 184 drug main active ingredients,544 drug targets and 663 disease targets were obtained,with 80 common targets of the two.The PPI network topological feature analysis was performed,and 10 core targets such as TP53,IL-6,ESRI,MYC,and TNF were obtained.The Go and KEGG enrichment analyses showed that Zhining concentrated decoction may be related to PI3K-Akt signal pathway,MAPK signal pathway,Kaposi sarcoma associated herpesvirus infection and other pathways in the treatment of hemorrhoids.The molecular docking results showed that quercetin,stigmasterol,β-sitosterol had good binding force with IL-6,TNF,TP53 and other targets of hemorrhoids.Conclusion:The core active components such as quercetin,stigmasterol,β-sitosterol may act on MAPK,PI3K-Akt and other signal pathways by regulating the targets such as TP53,MYC,TNF and IL-6 to treat hemorrhoids.
万方数据
维普
