Exploring the mechanism of action of compound Danshen Dropping Pills in treating osteoarthritis based on network pharmacology and molecular docking
Objective To predict the mechanism of action of compound Danshen Dropping Pills(CDDP)in the treatment of osteoarthritis(OA)based on network pharmacology and molecular docking methods.Methods TCMSP database was used to screen the main compounds and target information of CDDP.GeneCards,OMIM and DisGenet databases were searched to collect OA-related protein targets.Venn online tools were used to construct common targets of drugs and diseases.String 11.0 platform was used to construct protein interaction network.A drug-component-target-disease network was constructed by using Cytoscape 3.9.1 software.The enrichment analysis of gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)was carried out by using R-package clusterProfiler.AutoDock Vina was used for molecular docking.Results There were 44 intersection targets between CDDP and OA,and KEGG pathway enrichment revealed that phosphatidylinositol 3-kinase/protein kinase B and interleukin-17 signaling pathways were associated with drug action pathways.Molecular docking shows that quercetin,apigenin,and luteolin bind well to 11 core targets,especially quercetin binds to metalloproteinase 9.Conclusion CDDP may play an anti-OA role through multi-components,multi-targets and multi-pathways.
万方数据
维普
