中医临床研究2025，Vol.17Issue(17)：56-66,11.DOI:10.3969/j.issn.1674-7860.2025.17.009
基于网络药理学和分子对接技术探讨定志安神汤干预冠状动脉粥样硬化性心脏病合并失眠的作用机制
The action mechanism of the Dingzhi Anshen decoction in intervening coronary heart disease plus insomnia based on network pharmacology and molecular docking technology
摘要
Abstract
Objective:To explore the action mechanism of the Dingzhi Anshen decoction(定志安神汤)in intervening coronary heart disease plus insomnia based on network pharmacology and molecular docking technology.Methods:The active ingredients of the Dingzhi Anshen decoction were identified from TCMSP,HERB,CNKI,VIP,and Wanfang databases,the targets related to the active ingredients were predicted from Swiss Target Prediction platform,and the targets related to coronary artery disease and insomnia were collected from DisGeNET,GeneCards,TTD and OMIM databases.The intersection of active ingredient targets and disease targets was taken to construct a drug-active ingredient-core target interaction network,and a protein-protein interaction network was constructed by STRING database.Metascape database was used to conduct a GO function analysis and KEGG pathway enrichment analysis.Discover Studio software was used to perform molecular docking between the key active ingredient of the Dingzhi Anshen decoction and the core targets in the PPI network to evaluate their binding abilities.Results:A total of 146 active ingredients of the Dingzhi Anshen decoction were obtained,and 984 targets for the treatment of insomnia were obtained after removing duplicates.The PPI network analysis revealed that IL-6,BcL-2,STAT3,HIF1A,TNF,and JUN played a major role.The GO enrichment analysis was mainly related to molecular functions such as protein kinase activity,protein kinase binding,transcription factor binding,phosphatase binding,and phosphatase tyrosine kinase activity,and biological processes such as the positive regulation of cell migration,cellular response to lipids,hormone response,cellular response to abiotic stimuli,and cellular response to chemical stimuli,as well as cellular components such as membrane rafts,transcriptional regulator complex,receptor complex,perinuclear region of the cytoplasm,nuclear envelope,and vesicle lumen.KEGG pathway analysis mainly involved signaling pathways such as lipid and atherosclerosis,endocrine resistance,HIF-1 signaling pathway,apoptosis,necrotic apoptosis,and longevity regulatory pathway-multispecies.The molecular docking results showed that kaempferol,luteolin and isorhamnetin in the Dingzhi Anshen decoction had good affinities with key targets.Conclusion:The Dingzhi Anshen decoction might act on the targets of IL-6,BcL-2,STAT3,HIF1A,and TNF through the main active ingredients,such as kaempferol,luteolin,and isorhamnetin,and might be effective in the treatment of coronary artery disease plus insomnia through signaling pathways such as blood lipids and atherosclerosis,endocrine resistance,HIF-1 signaling pathway,and cell apoptosis.关键词
定志安神汤/冠状动脉粥样硬化性心脏病/失眠/网络药理学/分子对接Key words
The Dingzhi Anshen decoction/Coronary heart disease/Insomnia/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
荆煜雯,梁志恒,张学正..基于网络药理学和分子对接技术探讨定志安神汤干预冠状动脉粥样硬化性心脏病合并失眠的作用机制[J].中医临床研究,2025,17(17):56-66,11.基金项目
潍坊市科技发展计划——基于网络药理学的茯神龙牡丸干预不寐病心胆气虚证的作用靶点研究(2023YX016). （2023YX016）
