中国中医药图书情报杂志2024，Vol.48Issue(4)：74-81,8.DOI:10.3969/j.issn.2095-5707.202308058
基于网络药理学及分子对接探讨加味逍遥丸治疗围绝经期综合征作用机制
Discussion on the Mechanism of Jiawei Xiaoyao Pills for Treating Menopausal Syndrome Based on Network Pharmacology and Molecular Docking
摘要
Abstract
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.关键词
加味逍遥丸/网络药理学/分子对接/作用机制/围绝经期综合征Key words
Jiawei Xiaoyao Pills/network pharmacology/molecular docking/mechanism/menopausal syndrome分类
医药卫生引用本文复制引用
马贝贝,王志斌,田颖颖,李依林,王婷婷,杨海润,张志聪,杨硕,曹欣垚,左泽平..基于网络药理学及分子对接探讨加味逍遥丸治疗围绝经期综合征作用机制[J].中国中医药图书情报杂志,2024,48(4):74-81,8.基金项目
国家重点研发计划(2019YFC1711400) （2019YFC1711400）
