基于网络药理学和分子对接探讨独家彝药丹参益心胶囊治疗冠心病的潜在作用机制  

Investigation on the potential function mechanism of Danshen Yixin Capsule as an exclusive Yi medicine in the treatment of coronary heart disease based on network pharmacology and molecular docking

作　　者：胡瑜 蔡群虎 袁敏惠 曲媛[3] 刘石磊 HU Yu;CAI Qunhu;YUAN Minhui;QU Yuan;LIU Shilei(Scientific Research Center,Yunnan Notoginseng Technology Co.,Ltd.,Yunnan,Kunming 650206,China;National and Local Joint Engineering Research Center of Notoginseng Resources Protection and Utilization Technology,Yunnan,Kunming 650206,China;School of Life Science and Technology,Kunming University of Science and Technology,Yunnan,Kunming 650500,China)

机构地区：[1]云南三七科技有限公司科研中心,云南昆明650206 [2]三七资源保护与利用技术国家地方联合工程研究中心,云南昆明650206 [3]昆明理工大学生命科学与技术学院,云南昆明650500

出　　处：《中国医药科学》2025年第5期61-66,共6页China Medicine And Pharmacy

基　　金：云南省文山州科技计划项目(WS-QNKJ0003)。

摘　　要：目的本研究通过网络药理学和分子对接技术研究独家彝药产品丹参益心胶囊治疗冠心病的作用机制。方法对丹参益心胶囊、冠心病相关作用靶点进行筛选,应用中药系统药理学数据库与分析平台(TCMSP)和Swiss Target Prediction数据库、Metascape数据库、Cytoscape 3.8.0软件分析药物与疾病交集基因的蛋白质-蛋白质相互作用(PPI)、京都基因与基因组百科全书(KEGG)富集分析,并构建“有效成分-靶点-疾病”图,分析丹参益心胶囊治疗冠心病的作用机制;最终,使用AutoDock软件对核心靶点和关键活性成分进行分子对接模拟验证,通过Py MOL可视化呈现分子对接结果。结果丹参益心胶囊通过70个有效成分作用于329个冠心病相关靶点。主要通过槲皮素、白藜芦醇、芹菜素等8个主要活性成分,作用于TP53、Akt1、STAT3等20个核心靶点,通过调控脂质与动脉粥样硬化通路、PI3K/Akt信号通路、cAMP信号通路起治疗冠心病作用。结论彝药丹参益心胶囊通多成分、多靶点,多途径发挥抗动脉粥样硬化作用,从而治疗冠心病。Objective To investigate the function mechanism of Danshen Yixin Capsule as an exclusive Yi medicine in the treatment of coronary heart disease based on network pharmacology and molecular docking technology.Methods Related function targets of Danshen Yixin Capsule and coronary heart disease were screened.Protein-protein interaction(PPI),Kyoto gene and Kyoto encyclopedia of genes and genomes(KEGG)enrichment analysis of drugs and diseases intersection genes were analyzed by using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),Swiss Target Prediction database,Metascape database and Cytoscape 3.8.0 software.The"active ingredient-target-disease"diagram was constructed to analyze the function mechanism of Danshen Yixin Capsule in the treatment of coronary heart disease.Finally,the molecular docking simulation of core targets and key active components was verified by AutoDock software,and the molecular docking results were presented by PyMOL visualization.Results Danshen Yixin Capsule acted on 329 coronary heart disease-related targets through 70 effective components.8 main active components,such as quercetin,resveratrol and apigenin,acted on 20 core targets,such as TP53,Akt1 and STAT3,and played a role in the treatment of coronary heart disease by regulating lipids and atherosclerosis pathway,PI3K/Akt signaling pathway and cAMP signaling pathway.Conclusion Danshen Yixin Capsule,a Yi medicine,plays an anti-atherosclerosis function through multi-component,multi-target and multi-pathway,thus treating coronary heart disease.

关 键 词：丹参益心胶囊 彝药 冠心病 网络药理学 分子对接 脂质与动脉粥样硬化 

分 类 号：R259[医药卫生—中西医结合]