中国中医药图书情报杂志2024，Vol.48Issue(4)：61-68,8.DOI:10.3969/j.issn.2095-5707.202309094
基于网络药理学及分子对接探讨昆仙胶囊治疗膜性肾病作用机制
Discussion on the Mechanism of Kunxian Capsules in Treating Membranous Nephropathy Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To explore the mechanism of Kunxian Capsules in the treatment of membranous nephropathy(MN)based on network pharmacology and molecular docking technology.Methods The active components and action targets of Kunxian Capsules were collected through TCMSP,SwissTargetPrediction database and manual literature search.GeneCards,OMIM,DrugBank,MalaCards and PharmGKB databases were searched to obtain MN related targets.Cytoscape 3.8.0 software was used to draw Venn diagram to obtain the potential targets of Kunxian Capsules in the treatment of MN,and uploaded the targets to the STRING platform to construct the protein interaction network.Matascape database was used for GO and KEGG enrichment analysis.AutoDock Vina 1.1.2 software was used for molecular docking,and PyMOL 2.5.4 software was used to draw the molecular docking patterns.Results A total of 90 active components of Kunxian Capsules in the treatment of MN were obtained,including quercetin,triptolide,triptoquinone H,triptoquinone A,triptoquinone B,luteolin and kaempferol,etc.The core targets included SRC,STAT3,RELA,MAPK1,MAPK3,HSP90AA1,PIK3CA,TP53,EGFR,AKT1,ESR1,MAPK14,FOS,MYC,RHOA,TNF,VEGFA,IL6,ITGB1,STAT1,PTK2,EGF,NR3C1.GO enrichment results involved cell response to nitrogen compounds,circulatory system process,response to inorganic substance reaction,etc.KEGG enrichment analysis mainly involved PI3K/Akt,cAMP,TNF,JAK-STAT,mTOR,p53 and other signaling pathways.Molecular docking showed that the core target had well docking activity with the core active components.Conclusion Kunxian Capsules can treat MN through multi-components,multi-targets and multi-pathways.关键词
昆仙胶囊/膜性肾病/网络药理学/分子对接/作用机制Key words
Kunxian Capsules/membranous nephropathy/network pharmacology/molecular docking/mechanism分类
医药卫生引用本文复制引用
刘卓婷,江紫兰,李仰溥,黄曼霞,曾又佳..基于网络药理学及分子对接探讨昆仙胶囊治疗膜性肾病作用机制[J].中国中医药图书情报杂志,2024,48(4):61-68,8.基金项目
广东省中医药局科研项目(20231288) （20231288）
