Mechanism of Qizhufeixian Decoction in the Treatment of Idiopathic Pulmonary Fibrosis Based on Network Pharmacology and Molecular Docking
OBJECTIVE:To probe into the mechanism of Qizhufeixian decoction's treatment for idiopathic pulmonary fibrosis(IPF)utilizing network pharmacology and molecular docking approaches.METHODS:TCMSP,ETCM and HERB databases were retrieved for the active components and targets of various drugs in Qizhufeixian decoction.GeneCards,Drugbank,OMIM and DisGeNET databases were retrieved for the disease targets of IPF.Venny 2.1.0 online software was used to acquire the intersection targets,by using STRING database and Cytoscape software,the protein-protein interaction(PPI)diagram of the core targets of Qizhufeixian decoction in treating IPF was drawn.DAVID database and Metascape database were used to perform gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis on the intersection targets.Cytoscape software was used to construct drug-ingredient-targets-disease diagram and drug-ingredient-target-disease-pathway diagram;the molecular docking was finally performed on active components and core targets.RESULTS:A total of 445 active components,4 705 targets,4 509 IPF disease targets and 456 intersection targets of Qizhufeixian decoction were obtained.A total of 101 core targets were screened by PPI network;1 148 and 196 enrichment results were obtained from GO and KEGG enrichment analysis,respectively;the components of ursolic acid,apigenin,luteolin and quercetin had strong binding ability to the core targets of tumor protein p53(TP53),tumor necrosis factor(TNF),protein kinase B(Akt)1,interleukin(IL)1β,IL-6 and vascular endothelial growth factor A(VEGFA).CONCLUSIONS:Qizhufeixian decoction may exert its therapeutic effect on IPF by regulating the phosphatidyl inositol 3 kinase-AKt signaling pathway through the binding of components of ursolic acid,apigenin,luteolin and quercetin to targets of TP53,TNF,Akt1,1L-1β,IL-6 and VEGFA,which serves as a foundation and reference for treating IPF with traditional Chinese medicinal approaches.
万方数据
维普
