摘要
目的:基于网络药理学和分子对接技术探讨黄精-三七治疗冠状动脉粥样硬化性心脏病的潜在活性成分及作用机制。方法:通过中药系统药理学等数据库,筛选活性成分及其作用靶点;通过DisGeNET等数据库获得冠状动脉粥样硬化性心脏病(冠心病,CORONARY HEART DISEASE,CHD)相关靶点并构建Venny图;通过STRING等数据库构建药物与CHD靶点相互作用网络;通过基因信号通路筛选关键成分和核心靶点;采用分子对接技术评价关键成分与疾病靶点的对接效果。结果:涉及动脉粥样硬化、PI3K-AKT、MAPK、AGR-RAGE等信号通路的活性成分有14个,交集靶点160个。槲皮素、β-谷甾醇、黄芩素、豆甾醇、3′-甲氧基大豆苷与核心靶之间具有良好的结合作用。结论:槲皮素、黄芩素、豆甾醇等活性成分可能通过AKT1、TP53、TNF等靶点干预PI3K-AKT、MAPK、AGR-RAGE等信号通路,影响下游ASP、ARG、LYS等蛋白的表达,改善心肌耗氧供养失衡并抑制脂质积累,调节冠脉血流,从而抑制冠状动脉粥样硬化性心脏病的发生。
Objective:To explore the potential active components and mechanism of Rhizoma Polygonati and Notoginseng in the treatment of coronary atherosclerotic heart disease(CHD)based on network pharmacology and molecular docking technology.Methods:Screening active ingredients and their targets through databases such as the Traditional Chinese Medicine Systemic Pharmacology Database;Obtaining relevant targets of CHD through databases like DisGeNET and constructing a Venny diagram;Building a drug-CHD target interaction network using databases like STRING;Screening key components and core targets through gene signaling pathways;Evaluating the docking effect between key components and disease targets using molecular docking technology.Results:There were 14 active components and 160 intersecting targets involved in atherosclerosis,PI3K-AKT,MAPK,AGR-RAGE,and other signal pathways.Quercetin,β-sitosterol,baicalein,stigmasterol,and 3′-methoxydaidzein exhibited good binding effects with the core targets.Conclusion:Quercetin,baicalein,stigmasterol,and other active ingredients may interfere with PI3K-AKT,MAPK,AGR-RAGE,and other signal pathways through targets like AKT1,TP53,TNF,and others,affecting the expression of downstream proteins such as ASP,ARG,and LYS,improving the imbalance of myocardial oxygen consumption,inhibiting lipid accumulation,and regulating coronary blood flow,thereby preventing the occurrence of CHD.
作者
汪成
叶菊
蒋丝丝
何旭光
唐媛媛
马钰洁
马敏
Wang Cheng;Ye Ju;Jiang Sisi;He Xuguang;Tang Yuanyuan;Ma Yujie;Ma Min(College of Pharmacy,Qinghai Minzu University,Xining 810007,China;Zunyi Medical and Pharmacy College,Zunyi 563000,China)
出处
《亚太传统医药》
2025年第7期158-166,共9页
Asia-Pacific Traditional Medicine
基金
青海省基础研究计划项目(2021-ZJ-707)
黔北地区道地药材资源保护与利用研究团队项目(遵市科合HZ(2023)454号)。
关键词
黄精
三七
网络药理学
分子对接
冠心病
心绞痛
Rhizoma Polygonati
Notoginseng
Network Pharmacology
Molecular Docking
Coronary Heart Disease
Angina Pectoris
