Based on Network Pharmacology and Molecular Docking to Explore the Material Basis and Mechanism of Tong-zhi-su-run-jiang Tablets for the Treatment of Gout
Objective:Based on network pharmacology and molecular docking technology to explore the material basis as well as the mechanism of action of Tong-zhi-su-run-jiang tablets for the treatment of gout.Methods:The constituents and targets of the seven herbs in Tong-zhi-su-run-jiang tablets were searched through CNKI,TCMSP,Swiss Target Prediction and other databases.The GeneCards database was utilized to obtain the targets of gout,and the common targets of both were selected for GO enrichment and KEGG analysis.Cytoscape was used to construct the interactions of potential targets and the"drug-component-target-pathway"network;finally,the main active ingredients of Tong-zhi-su-run-jiang tablets were verified by molecular docking with the core targets.Results:35 active ingredients,692 drug targets and 1546 gout targets of Tong-zhi-su-run-jiang tablets were mined,and 173 common targets were obtained,and the main targets were SRC,STAT3,PIK3R1,MAPK3,MAPK1,etc.GO enrichment analysis obtained 2463 entries,and the main entries were peptidyl-tyrosine phosphorylation in biological process,peptidyl-tyrosine modification,phosphatidyl inositol-mediated signaling,etc.KEGG enrichment analysis yielded 151 signaling pathways,including PI3K/AKT,Ras and MAPK signaling pathways,etc.The molecular docking results showed that most of the active ingredients in Tong-zhi-su-run-jiang tablets had good binding ability with the core targets.Conclusions:Tong-zhi-su-run-jiang tablets may exert therapeutic effects on gout through its active ingredients,such as kaempferol,quercetin,isorhamnetin and luteolin,which acts on SRC,STAT3,PIK3R1,MAPK3,MAPK1 and other targets to modulate the signaling pathways,such as PI3K/AKT,Ras and MAPK.
tong-zhi-su-run-jiang tabletsgoutmolecular dockingmechanism of actionnetwork pharmacology
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NSTL
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