The potential targets of Zhufeng Tongbi decoction in treating ischemic stroke based on network pharmacology and molecular docking
Objective:To explore the potential targets of Zhufeng Tongbi decoction(逐风通痹汤)in the treatment of ischemic stroke through network pharmacology and molecular docking.Methods:The active components and corresponding targets of Zhufeng Tongbi decoction were obtained by means of systematic pharmacology database and analysis platform(TCMSP)and literature inquiry.Disease targets of ischemic stroke were obtained from Genecard,DrugBank and OMIM databases,and the Zhufeng Tongbi decoction active ingredient-target network was constructed by Cytoscape 3.8.1.Venny 2.1.0 was used online to take intersection between the target of Zhufeng Tongbi decoction and the target of ischemic stroke,and String 11.5 databases and Cytoscape 3.8.1 were used to establish the protein interaction network,so as to analyze the protein-protein interaction(PPI)relationship and find out the core target.The gene ontology(GO)function and the Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses were performed for intersection targets using DAVID and Michenshin.PyMOL program and AutodockTools 1.5.7 software were used for processing and molecular docking of main active ingredients with core targets to evaluate the binding ability between molecules.Results:A total of 158 active components and 120 potential targets of Zhufeng Tongbi decoction were discovered.It mapped with 1 676 ischemic stroke-related targets and found 89 intersection targets,the core components mainly included oleic acid,quercetin,stigmasterol,kaempphenol,tanshinone,etc.Through PPI network analysis,19 core targets were selected,including PPARG,MAPK3,PTGS2,PPARA,ESR1,ACE,etc.It could be speculated that these targets may be potential targets for Zhufeng Tongbi decoction in the treatment of ischemic stroke.GO enrichment analysis was concentrated in 85 biological processes,87 cell components,and 89 molecular functions,respectively.KEGG enrichment analysis mainly involved 5-HT synapse,glutamergic synapse,cAMP signaling pathway,and PPAR signaling pathway.The molecular docking results showed that stigasterol and tanshinone in Zhufeng Tongbi decoction could be used as the main active substances,which had strong binding activity with the core target of ischemic stroke.Conclusion:The multi-target and multi-channel effects of Zhufeng Tongbi decoction on patients with ischemic stroke provide a research direction for the molecular mechanism of subsequent treatment of ischemic stroke.
万方数据
维普
