中国医院用药评价与分析2025，Vol.25Issue(8)：912-917,6.DOI:10.14009/j.issn.1672-2124.2025.08.003
基于网络药理学和分子对接的益心舒片治疗冠心病机制研究
Mechanism of Yixinshu Tablets in the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking
摘要
Abstract
OBIECTIVE:To explore the mechanism of Yixinshu tablets in the treatment of coronary heart disease based on network pharmacology,and to verify by molecular docking technology.METHODS:The active component of Yixinshu tablets was screened by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,Traditional Chinese Medicine Information Database and Swiss Target Prediction,and the target network was constructed by combining the obtained active component with the coronary heart disease target obtained by GeneCards database and OMIM database.Protein-protein interaction(PPI)was performed on the intersection targets obtained through STRING database,and key targets were screened for Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis.AutoDock Tools 1.5.6 and PyMOL were used for molecular docking to verify the binding ability between core components and key targets.RESULTS:A total of 155 active components of Yixinshu tablets were retrieved,corresponding to a total of 6 513 targets,with 1 751 targets related to coronary heart disease.Totally 238 intersection targets of the two were finally obtained,44 key targets were obtained through PPI network construction and network topology analysis,and 938 GO functional processes and 177 KEGG pathways were obtained through enrichment analysis.Molecular docking results showed that the core components of luteolin,Jaranol and 3β-sulphurenic acid could stably bind to key targets protein kinase B(Akt)1,tumor necrosis factor and interleukin-6.CONCLUSIONS:This study predicts that Yixinshu tablets may treat coronary heart disease through phosphatidylinositol 3 kinase-Akt pathway and other pathways,which reveals that Yixinshu tablets have multi-component and multi-target characteristics in the treatment of coronary heart disease.关键词
益心舒片/冠心病/网络药理学/分子对接Key words
Yixinshu tablets/Coronary heart disease/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
郭美玲,李嘉琪,翟弋焱,金政森,鲁佩颖,刘江莹,雷慧玲,刘書麒,吴嘉瑞..基于网络药理学和分子对接的益心舒片治疗冠心病机制研究[J].中国医院用药评价与分析,2025,25(8):912-917,6.基金项目
国家中医药管理局重点学科建设项目(No.zyyzdxk-2023257) （No.zyyzdxk-2023257）
