摘要
目的基于网络药理学研究补肾安坤汤治疗早发性卵巢功能不全(POI)的作用机制。方法借助中药系统药理学数据库和分析平台(TCMSP),得到药物的有效成分和相关作用靶点;依据Uniprot数据库,找到作用靶点的标准名称;基于Cytoscape软件,得到中药成分-靶点网络图;根据Genecards和OMIM,获得疾病靶点基因;依靠STRING数据库和Cytoscape软件,取得与本病相关的核心靶点蛋白质-蛋白质相互作用网络;依靠DAVID数据库、Cluego软件,进行GO富集分析和KEGG富集分析,利用PubChem数据库、Uniprot数据库、AutoDock Tools软件、DS ViewerPro软件,对主要成分与关键靶点进行分子对接。结果根据筛选条件得到补肾安坤汤150个有效成分和1088个成分作用靶点;检索POI靶点基因2718个,并获得补肾安坤汤药物与疾病共同靶点166个;分子对接结果显示,筛选出的主要化合物与其对应靶蛋白均具有较好的结合活性。GO功能富集分析显示主要涉及细胞表面等;KEGG通路富集分析,共富集出228条通路。结论补肾安坤汤治疗POI的作用机制,体现了中药多成分、多靶点、多途径的作用特点,为进一步研讨相关疾病及药物提供了理论依据。
Objective To study the action mechanism of Bushen Ankun Decotion in the treatment of premature ovarian insufficiency(POI)based on network pharmacology.Methods With the help of traditional Chinese medicine system pharmacology database and analysis platform(TCMSP),the effective components and related targets were obtained;the standard names of the targets were found according to the Uniprot database;based on Cytoscape software,the network diagram of traditional Chinese medicine component-target was obtained.According to Genecards and OMIM,target genes of disease were obtained.Protein-protein interaction network of core target proteins was obtained by using STRING database and Cytoscape software.DAVID database and Cluego software were used for GO enrichment analysis and KEGG enrichment analysis.PubChem database,Uniprot database,AutoDock Tools software and DS ViewerPro software were used for molecular docking of main components and key targets.Results According to the screening conditions,150 active components and 1088 targets of Bushen Ankun Decotion were obtained.2718 POI target genes were retrieved,and 166 common targets of Bushen Ankun Decoction and disease were obtained.The results of molecular docking showed that the main compounds and their corresponding target proteins had good binding activities.GO functional enrichment analysis showed that it was mainly involved in cell surface.KEGG pathway enrichment analysis,a total of 228 pathways were enriched.Conclusion The mechanism of Bushen Ankun Decoction in the treatment of POI reflects the characteristics of multi-component,multi-target and multi-channel of traditional Chinese medicine,and provides a theoretical basis for further study of related diseases and drugs.
作者
解小慧
刘金星
XIE Xiaohui;LIU Jinxing(The First Clinical Medical College,Shandong University of Traditional Chinese Medicine,Shandong Province,Jinan 250000,China;Department of Gynecology,Shandong Provincial Hospital of Traditional Chinese Medicine,Shandong Province,Jinan 250000,China)
出处
《中国医药导报》
CAS
2022年第9期31-36,共6页
China Medical Herald
基金
山东省重点研发计划项目(2019GSF108208)。
关键词
网络药理
分子对接
补肾安坤汤
早发性卵巢功能衰竭
作用机制
Network pharmacology
Molecular docking
Bushen Ankun Decotion
Premature ovarian insufficiency
Action mechanism
作者简介
解小慧(1996-),女,山东中医药大学第一临床医学院2019级中医妇科学专业在读硕士研究生,研究方向:中医妇科学;通讯作者:刘金星(1965-),男,博士,主任医师,研究方向:中医妇科学。
