摘要
目的基于网络药理学探讨温阳益心法(温心方)治疗冠心病(CHD)作用机制。方法检索TCMSP数据库检索各中药化合物(OB≥30%、DL≥0.18),将整合的数据导入Cytoscape 3.5.1软件,构建"中药-化合物-靶点"可视化网络图。登录DisGeNET、Genecard、DrugBank、OMIM、GAD、TTD数据库对冠心病基因靶点进行检索,并将疾病与药物的交集靶点录入String网站及Cytoscape 3.5.1构建PPI网络,将靶点基因导入Metascape网站进行GO及KEGG富集分析对通路进行预测,运用AutoDock4.2、PyMOL2.3.2软件对核心靶点进行分子对接验证。结果共筛选出97种化合物,PPI网络包含745个节点、10 303条边,核心靶点为VEGFA、NOS3、KDR、PTGS2等。与冠心病相关的核心通路共4条,分别是PI3K-Akt、NF-κB、剪切与动脉硬化、HIF-1。结论温心方中豆甾醇、槲皮素等关键化合物可能通过VEGFA、NOS3等靶点对PI3K-Akt、NF-κB、HIT-1等通路进行调控从而对冠心病起到治疗作用。
Objective:To explore the mechanism of warming yang and resolving phlegm(Wenxin Decoction)in the treatment of coronary heart disease(CHD)based on network pharmacology. Methods:Each Chinese herbal compound was searched based on the TCMSP database(OB≥30%,DL≥0.18). Integrated data was imported into Cytoscape 3.5.1 software and build visual network map of“herb-compounds-target genes”. The DisGeNET,Genecard,DrugBank,OMIM,GAD,TTD database were searched for gene targets of coronary heart disease. The intersection target of disease and drug was introduced into String website to construct PPI network. The target genes were introduced into Metascape website for GO and KEGG enrichment analysis to predict the pathway. AutoDock4.2 and PyMOL2.3.2 were used to dock molecular and verify the target. Results:A total of 97 compounds were screened. The PPI network contained 745 nodes and 10 303 edges. The core targets were VEGFA,NOS3,KDR,PTGS2,etc. There were 4 core pathways related to coronary heart disease,namely PI3 K-Akt,NF-κB,fluid shear stress and atherosclerosis,and HIF-1. Conclusion:The key compounds such as stigmasterol and quercetin in Wenxin Decoction may regulate PI3 K-Akt,NF-κB,HIT-1 and other pathways through VEGFA,NOS3 and other targets,thereby playing a therapeutic effect on coronary heart disease.
作者
王兆博
刘莹
曹洪欣
Wang Zhaobo;Liu Ying;Cao Hongxin(Dongzhimen Hospital,Beijing University of Chinese Medicine,Beijing 100100,China)
出处
《中国中医急症》
2021年第9期1505-1509,共5页
Journal of Emergency in Traditional Chinese Medicine
基金
国家自然科学基金项目(81804016)。
关键词
温阳益心法
冠心病
PI3K-AKT
网络药理学
Warming yang and resolving phlegm method
Coronary heart ddisease
PI3K-Akt
Network pharmacology
