首页|基于网络药理学及分子对接分析芎归饮治疗冠心病稳定型心绞痛的作用机制

基于网络药理学及分子对接分析芎归饮治疗冠心病稳定型心绞痛的作用机制

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目的:应用网络药理学方法研究并分析芎归饮治疗冠心病稳定型心绞痛的生物过程及分子基础。方法:应用中药系统药理数据库和分析平台(TCMSP)数据库检索当归、川芎两种药物的有效组分和对应靶标,利用Cytoscape 3。8。2软件建立芎归饮"中药组成-有效成分-靶基因"关系图并进行分析,得到核心蛋白及靶点。利用数据库查找出冠心病稳定型心绞痛的疾病基因靶标,并借助韦恩图工具统计出药物干预疾病的靶点数量。使用STRING数据库获得蛋白质相互作用(PPI)关系网络图并选择出核心蛋白,将靶标信息上传DAVID数据库完成生物功能分析和途径富集分析,以系统分析其治疗作用发挥路径。结果:整理得到芎归饮活性组分6个,对应基因靶标62个;疾病靶基因1123个,药物与疾病共有靶基因37个;主要通过雌二醇调节、药物调节、蛋白质同源二聚化活性、细胞凋亡、心肌细胞肾上腺素能信号转导等起到对稳定型心绞痛的治疗作用。分子对接结果显示,芎归饮的有效成分与核心蛋白之间存在良好的结合活性。结论:基于网络药理学验证了芎归饮中药物的多个组分可经过雌二醇调节等生物途径作用于SLC6A2、PLAU等靶基因对冠心病稳定型心绞痛起到治疗效果。
Mechanism of Xionggui Decoction for the Treatment of Stable Angina Pectoris in Coronary Heart Disease based Network Pharmacology and Molecular Docking
Objective:To study and analyze the biological process and molecular basis of Xionggui Decoction for the treatment of stable angina pectoris in coronary heart disease by network pharmacology method.Methods:The traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP) database was used to retrieve the active components and corresponding targets of Angelica sinensis and Rhizoma Ligustici,and Cytoscape 3.8.2 software was used to build and analyse the "Chinese herbal composition-active component-target gene" relationship diagram of Xionggui Decoction to obtain the core proteins and targets.The database was used to find out the disease gene targets of stable angina pectoris for coronary heart disease,and the number of targets for drug intervention was counted with the Venn diagram tool.The protein-protein interaction(PPI) network was obtained using the STRING database and the core proteins were selected.The target information was uploaded to the DAVID database for biofunctional analysis and pathway enrichment analysis to analyse the pathways of therapeutic action.Results:Six active components of Xionggui Decoction were obtained,corresponding to 62 gene targets,1123 disease target genes,and 37 drug-disease target genes.The main therapeutic effects on stable angina pectoris were through estradiol regulation,drug regulation,protein homodimerization activity,apoptosis and adrenergic signaling in cardiomyocytes.The molecular docking results showed better binding activity between the active ingredients of Xionggui Decoction and the core proteins.Conclusion:Based on the network pharmacology,it was verified that several components of Xionggui Decoction could act on SLC6A2,PLAU and other target genes through estradiol regulation and other biological pathways for the treatment of stable angina pectoris in coronary heart disease.

coronary artery disease stable anginaXionggui Decoctionnetwork pharmacologymolecular docking

李天舒、杨洁、杨传华

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山东中医药大学中医学院 济南 250014

山东中医药大学附属医院 济南 250014

冠心病稳定型心绞痛 芎归饮 网络药理学 分子对接

2024

中西医结合心脑血管病杂志
中国中西医结合学会 山西医科大学第一医院

中西医结合心脑血管病杂志

CSTPCD
影响因子:1.463
ISSN:1672-1349
年,卷(期):2024.22(24)