Discussion on the Mechanism of Jiawei Xiaoyao Pills for Treating Menopausal Syndrome Based on Network Pharmacology and Molecular Docking
Objective To explore the mechanism of Jiawei Xiaoyao Pills in the treatment of menopausal syndrome based on network pharmacology and molecular docking technology.Methods The active components of Jiawei Xiaoyao Pills were collected through TCMSP database,and GeneCards,OMIM,PharmGKB and DrugBank databases were retrieved to obtain targets related to menopausal syndrome.R 4.0.2 packages were used to take the intersection of drug active components and disease targets as key targets,and then they were uploaded to the STRING platform to construct a protein-protein interaction network;GO and KEGG pathway enrichment analysis was performed using R 4.0.2 packages;Cytoscape 3.9.1 software was used to construct a Chinese materia medica-active components-target network,CytoNCA plugin was used for network topology analysis;AutoDock Vina 1.1.2 software was used for molecular docking.Results The results showed that there were 127 kinds of key active components of Jiawei Xiaoyao Pills,including quercetin,luteolin,kaempferol,7-methoxy-2-methyl isoflavone,beta-sitosterol,licochalcone A,stigmasterol,naringenin and formononetin etc.;core targets for the treatment of menopausal syndrome were PTGS2,ESR1,AR,NOS2,PPARG,NCOA2,SCN5A,ADRB2,etc.;the GO enrichment results included response to xenobiotic stimulus,response to oxidative stress,gland development,etc.,and KEGG enrichment analysis mainly involved PI3K/Akt,lipid and atherosclerosis,AGE-RAGE,MAPK and other signaling pathways;molecular docking showed that the core targets had strong docking activity with the main active components.Conclusion Jiawei Xiaoyao Pills can treat menopausal syndrome through multiple components,targets,and pathways.
国家科技期刊平台
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