摘要
目的 基于网络药理学与分子对接技术研究蒙药三味檀香汤治疗缺血性心脏病的作用机制,并分析关键活性成分在缺血性心脏关键靶点中的分子调控机制。方法 通过TCMSP数据库获取三味檀香汤的活性成分及其作用靶点,与Gene Cards等数据库获取的疾病靶点取交集,筛选出三味檀香汤对缺血性心脏病的治疗作用靶点,利用Cytoscape软件对“三味檀香汤-缺血性心脏病”的“活性成分-作用靶点”网络进行可视化处理;再利用String数据库构建蛋白互作网络,并筛选出关键靶点,然后在关键活性成分和关键靶点间进行分子对接验证;同时通过DAVID数据库对关键靶点进行GO和KEGG通路富集分析。最后探讨“关键活性成分-关键靶点-信号通路”间的关系。结果 (1)得到活性成分20个,治疗靶点175个;(2)槲皮素、木犀草素、柚皮素、山柰酚、异鼠李素为三味檀香汤的关键活性成分;(3)MAPK3、MAPK1、JUN、RELA、AKT1为蛋白互作网络中的关键靶点;(4)关键活性成分和关键靶点间具有良好的结合活性;(5)DAVID富集分析主要涵盖细胞对活性氧的反应、细胞对氧化应激的反应、老化等生物学过程,涉及B细胞受体、AGE-RAGE及Toll样受体等信号通路。(6)三味檀香汤通过多个靶点、多种信号通路治疗缺血性心脏病。结论 本文研究采用网络药理学分析了三味檀香汤治疗缺血性心脏病的潜在作用机制,可为进一步研究其药效物质基础及作用靶点提供参考。
Objective To study the mechanism of Mongolian medicine Sanwei Tanxiang Decoction in the treatment of ischemic heart disease based on network pharmacology and molecular docking technology, and analyze the molecular regulation mechanism of key active ingredients in key targets of ischemic heart. Methods We obtained the active ingredients and targets of Sanwei Tanxiang Decoction from the TCMSP database, and intersected them with the disease targets obtained from databases such as Gene Cards, and screened out the targets of Sanwei Tanxiang Decoction for the treatment of ischemic heart disease. We used Cytoscape software to visualize the "active ingredients-targets" network of "Sanwei Tanxiang Decoction-Ischemic Heart Disease". Then, we used the String database to construct a protein interaction network, screened out the key targets, and carried out molecular docking verification between key active ingredients and key targets. At the same time, GO and KEGG pathway enrichment analysis was performed on key targets through the DAVID database. Finally, we discussed the relationship between "key active ingredients-key targets-signal pathways". Results(1) 20 active ingredients and 175 therapeutic targets were obtained;(2) Quercetin, luteolin,kaempferol, naringenin, and isorhamnetin were the key active components of Sanwei Tanxiang Decoction;(3)MAPK3,MAPK1 JUN, RELA, and AKT1 were the key targets in the protein interaction network;(4)Key active ingredients and key targets had good binding activity;(5)The DAVID enrichment analysis mainly covered the cell’s response to reactive oxygen species and the cell’s response to oxidative stress. Biological processes such as reaction and aging involved signaling pathways such as B cell receptors, AGE-RAGE and Toll-like receptors.(6)Sanwei Tanxiang Decoction treated ischemic heart disease through multi-target and multi-signal pathways. Conclusion This study uses network pharmacology to analyze the potential mechanism of Sanwei Tanxiang Decoction in the treatment of ischemic heart disease, which can provide a reference for further research on its pharmacodynamic material basis and targets.
作者
万全
山丹
胡鹏飞
梁车格乐
赵明
张青山
Wan Quan;Shan Dan;Hu Pengfei;Liang Chegele;Zhao Ming;Zhang Qingshan(The Affiliated Hospital of Inner Mongolia University for Nationalities,Tongliao 028400,China;School of Pharmacy,Jiangxi University of Chinese Medicine,Nanchang 330004,China)
出处
《世界科学技术-中医药现代化》
CSCD
北大核心
2021年第11期3971-3985,共15页
Modernization of Traditional Chinese Medicine and Materia Medica-World Science and Technology
基金
内蒙古民族大学附属医院青年科研启动基金项目(2020QNJJ02):蒙药新Ⅱ号通过网腔钙结合蛋白(calumenin)介导病毒性心肌炎小鼠心肌保护作用研究,负责人:万全。
关键词
缺血性心脏病
网络药理学
三味檀香汤
分子对接
信号通路
Ischemic heart disease
Network pharmacology
Sanwei Tanxiang Decoction
Molecular docking
Signaling pathway
