世界中医药
文章摘要
引用本文:王猛1,刘刚1,路聊东1,王东伟1,2.基于网络药理学和分子对接探讨“杜仲-牛膝”药对治疗骨质疏松的分子机制[J].世界中医药,2021,(20):.  
基于网络药理学和分子对接探讨“杜仲-牛膝”药对治疗骨质疏松的分子机制
Study on the Molecular Mechanism of “Cortex Eucommiae-Radix Achyranthis Bidentatae” in the Treatment of Osteoporosis Based on Network Pharmacology and Molecular Docking
投稿时间:2020-08-27  
DOI:10.3969/j.issn.1673-7202.2021.20.002
中文关键词:  杜仲  牛膝  网络药理学  分子对接  骨质疏松  分子机制
English Keywords:Cortex Eucommiae  Achyranthes bidentata  Network pharmacology  Molecular docking  Osteoporosis  Molecular mechanism
基金项目:山东省医药卫生科技发展计划项目(2019WS118)
作者单位
王猛1,刘刚1,路聊东1,王东伟1,2 1 山东省聊城市中医医院聊城252000 2 山东中医药大学济南250355 
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中文摘要:
      目的:运用网络药理学和分子对接的方法探讨“杜仲-牛膝”药对治疗骨质疏松的分子机制。方法:通过中药系统药理学数据库与分析平台(TCMSP)筛选杜仲、牛膝含有的活性成分及作用靶点;利用GeneCards、DisGeNET和CTD数据库收集骨质疏松(OP)相关靶点基因;采用Cytoscape 3.8.0软件和STRING数据库进行“药物-活性成分-靶点”网络和蛋白质-蛋白质相互作用(PPI)网络的构建与分析;FunRich3.1.3软件DAVID数据库进行基因本体(GO)富集分析和京都基因和基因组百科全书(KEGG) 富集分析(P<0.05);运用Maestro version 11.5对主要活性成分及靶点蛋白进行分子对接。结果:获得“杜仲-牛膝”药对治疗OP的活性成分共42个和133个有效靶点;获得251条GO生物过程和90条相关信号通路,涉及PI3K-AKT、TNF、Wnt、HIF-1、MAPK信号通路等。结论:“杜仲-牛膝”药对可能通过调控细胞增殖、分化与凋亡、骨代谢来治疗OP,具有多成分、多靶点、多系统的特点,为系统阐明“杜仲-牛膝”药对主要成分治疗OP的分子机制提供了参考。
English Summary:
      To explore the molecular mechanism of Cortex Eucommiae-Achyranthes bidentata in the treatment of osteoporosis by network pharmacology and molecular docking.Methods:TCMSP database was used to screen the active components and action targets of Cortex Eucommiae-Achyranthes bidentata.We used GeneCards,DisGeNET and CTD database to collect osteoporosis(Osteoporosis,OP) related target genes; used Cytoscape 3.8.0 software and STRING database to construct and analyze the “drug-active ingredient-target” network and PPI network; FunRich3.1.3 Software DAVID database were used forGO analysis and KEGG enrichment analysis(P<0.05); we used Maestro version 11.5 to perform molecular docking of the main active ingredients and target proteins.Results:We obtained a total of 42 active ingredients and 133 effective targets of “Cortex Eucommiae-Achyranthes bidentata” drug for the treatment of OP; and obtained 251 GO biological processes and 90 related signal pathways,involving PI3K-AKT,TNF,Wnt,HIF-1,MAPK signal pathway etc.Conclusion:Cortex Eucommiae-Achyranthes bidentata drug pair may treat OP by regulating cell proliferation,differentiation and apoptosis,and bone metabolism.It has the characteristics of multi-component,multi-target and multi-system,which provides a reference for systematically elucidating the molecular mechanism of Cortex Eucommiae-Achyranthes bidentata drug pair in treating OP.
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