摘要
通过网络药理学技术预测葛根芩连汤治疗肺动脉高压的关键活性成分及其可能的作用靶点,探讨其作用机制.通过TCMSP平台收集葛根芩连汤中四味中药的活性成分及相关靶标,借助Genecards数据库获得肺动脉高压疾病基因,使用Cytoscape软件将药物靶点和疾病基因映射,并对交集靶标进行GO功能富集分析和KEGG通路富集分析.运用AutoDock Vina软件将核心靶点与活性成分进行分子对接,并使用PyMol软件绘制图片.经TCMSP平台及相关文献得到146个活性成分,共获得112个葛根芩连汤治疗肺动脉高压的相关靶点,其中,GO富集分析功能结果显示参与的条目共160个(P<0.05),其中有115个条目参与了生物学过程(BP),有21个条目参与了细胞组成(CC),还有24个条目与分子功能(MF)有关.此外,KEGG通路富集分析结果显示有103条信号通路参与其中(P<0.05),主要参与的通路包括了HIF-1信号通路、TNF信号通路、PI3K-Akt信号通路、Toll样受体信号通路等.通过网络药理学研究揭示了葛根芩连汤可通过多个靶点、多个信号通路来治疗肺动脉高压,且关键药效分子与核心靶点均能稳定结合,此研究为进一步探究其作用机制提供了理论基础.
Based on network pharmacology and molecular docking technology to predict the main active components of Gegen Qinlian decoction in the treatment of pulmonary hypertension and target,and explore the mechanism of its multi-component-multi-target-multi-pathway.The active ingredients and related targets of four traditional Chinese medicines in Gegen Qinlian decoction were collected by TCMSP platform,and the genes of pulmonary hypertension were obtained by Genecards database.The drug targets and disease genes were mapped by Cytoscape software,and GO functional enrichment analysis and KEGG pathway enrichment analysis were performed on the intersecting targets.AutoDock Vina software was used to dock the core targets with active ingredients,and PyMol software was used to draw pictures.146 active ingredients were obtained from TCMSP platform and related literatures,and 112 targets of Gegen Qinlian decoction for pulmonary hypertension were obtained.160 items were obtained from GO functional enrichment analysis(P<0.05),including 115 items for biological process(BP),21 items for cell composition(CC),and 24 items for molecular function(MF).KEGG pathway enrichment analysis screened 103 signaling pathways(P<0.05),involving HIF-1 signaling pathway,FoxO signaling pathway,TNF signaling pathway,PI3K-Akt signalingpathway,Toll-like receptor signaling pathway,etc.The network pharmacology study revealed that Gegen Qinlian decoction can treat pulmonary hypertension through multiple targets and multiple signaling pathways,and the key pharmacodynaic molecules can be stably combined with the core targets,which provides a theoretic-al basis for further study of its mechanism of action.
作者
李松林
韩雪
李文娣
姜山
王旭
LI Song-lin;HAN Xue;LI Wen-di;JIANG Shan;WANG Xu(School of Pharmacy,Harbin University of Commerce,Harbin 150076,China)
出处
《哈尔滨商业大学学报（自然科学版）》
CAS
2021年第2期131-138,共8页
Journal of Harbin University of Commerce：Natural Sciences Edition
基金
黑龙江省自然科学基金重点项目(No.160672)。
关键词
葛根芩连汤
肺动脉高压
网络药理学
分子对接
信号通路
富集分析
Gegen Qinlian decoction
pulmonaryhypertension
network pharmacology
molecular docking
signaling pathway
enrichment analysis
