Mechanism of Jinteng Qingbi Granules in the Treatment of Gout Based on Network Pharmacology and Molecular Docking Technology
OBJECTIVE:To explore the mechanism of Jinteng Qingbi granules in the treatment of gout based on network pharmacology and molecular docking technology.METHODS:Active components and effect targets were collected through Traditional Chinese Medicines Systems Pharmacology Platform and literature retrieval.Disease genes related to gout were retrieved by DisGeNET and GeneCards database.Drug-component-predicted target network,gout related protein-protein interaction network,drug-component-target-pathway network were constructed by Cytoscape 3.9.0.Gene Ontology(GO)function enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed for potential targets by using R software R Studio.Pathway Builder Tool software was used to draw the partial pathway diagram.Autodock software was used to conduct molecular docking on the screened key components and core targets.RESULTS:A total of 153 active components and 873 predicted targets were screened from 11 drugs of Jinteng Qingbi granules,and 148 potential targets of gout were selected.GO enrichment analysis involved 2 378 biological processes,118 cell components and 159 molecular functions,with a total of 2 655 entries.Totally 162 pathways including cancer pathway,C-type lectin receptor signaling pathway,phosphatidylinositol 3 kinase-protein kinase B signaling pathway,tumor necrosis factor signaling pathway and Toll-like receptor signaling pathway were obtained by KEGG pathway enrichment analysis.Molecular docking results showed that the binding energy between key components and related targets was low and the affinity was considerable.CONCLUSIONS:The study verifies and predicts that active components of Jinteng Qingbi granules can achieve the treatment efficacy of gout by acting on multiple targets and regulating multiple pathways,and provides ideas for the study of mechanism and clinical application.
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