中国医院用药评价与分析2025，Vol.25Issue(12)：1430-1436,7.DOI:10.14009/j.issn.1672-2124.2025.12.004
基于网络药理学和分子对接的通心络胶囊治疗中风的作用机制研究
Mechanism of Tongxinluo Capsule in the Treatment of Stroke Based on Network Pharmacology and Molecular Docking
摘要
Abstract
OBJECTIVE:Based on network pharmacology and molecular docking,to explore the mechanism of Tongxinluo capsule in the treatment of stroke.METHODS:The active components of each traditional Chinese medicine in Tongxinluo capsule were screened by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform and HERB databases,and the targets were predicted by Swiss Target Prediction and PharmMapper databases,and intersected with the targets of stroke disease retrieved from GeneCards database,the potential targets of Tongxinluo capsule for the treatment of stroke were obtained.Cytoscape 3.10.2 software was used to perform drug-component-predicted target network of Tongxinluo capsule and component-disease-potential target network of Tongxinluo capsule for the treatment of stroke.Gene ontology(GO)functional enrichment analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis were performed with the help of Metascape platform,and the component-key target-core pathway-disease network diagram of Tongxinluo capsule for the treatment of stroke were drew.AutoDockTools 1.5.7 was applied to verify the results of molecular docking between core components and key targets.RESULTS:A total of 243 active ingredients of Tongxinluo capsule and 837 stroke disease targets were screened out,and 103 intersection targets of active ingredient targets and disease targets were obtained.The GO analysis process encompassed 1 497 functional terms,involving biological processes such as circulatory system processes and hormone responses,cellular components such as receptor complexes and plasma membrane protein complexes,and molecular functions such as kinase activity and transmembrane receptor protein kinase activity.The KEGG analysis covered 167 pathways including cancer pathway,hepatitis B,mitogen-activated protein kinase signaling pathway,and calcium signaling pathway.Molecular docking validation results showed that compounds such as ginsenoside-Rh4,panaxadiol and bornyl acetate had strong binding ability to estrogen receptor 1,epidermal growth factor receptor,phosphatidylinositol 3-kinase catalytic subunit alpha isoform,serine/threonine protein kinase B-raf,tyrosine protein kinase,and prothrombin.CONCLUSIONS:This study tentatively predicts and verifies the molecular mechanism of action of Tongxinluo capsule in the treatment of stroke,which provides reference for further research.关键词
通心络胶囊/中风/网络药理学/分子对接Key words
Tongxinluo capsule/Stroke/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
LEI Huiling,ZHOU Jiying,ZHAI Yiyan,CHEN Xiaodong,GUO Meiling,LIU Jiangying,LU Peiying,LIU Shuqi,WU Jiarui..基于网络药理学和分子对接的通心络胶囊治疗中风的作用机制研究[J].中国医院用药评价与分析,2025,25(12):1430-1436,7.基金项目
国家中医药管理局高水平中医药重点学科建设项目(No.zyyzdxk-2023257) （No.zyyzdxk-2023257）
