| 摘要: |
| 目的：基于网络药理学与分子对接技术探讨丹参-川芎治疗冠心病（coronary artery heart disease，CHD）-稳定型心绞痛（stable angina pectoris，SAP）的潜在作用机制。方法：通过中药系统药理数据库（Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform，TCMSP）和BATMAN 2.0数据库筛选丹参-川芎有效成分及潜在作用靶标，结合人类基因数据库（The Human Gene Database，GeneCards）SAP疾病靶点，R软件分析交集靶点并构建蛋白质-蛋白质相互作用（protein-protein interaction，PPI）网络及成分-靶点-疾病网络；R软件进行基因本体（gene ontology，GO）功能注释和京都基因与基因组数据库（Kyoto Encyclopedia of Genes and Genomes，KEGG）通路富集分析，基于AutoDockToolsv1.5.6软件模拟核心靶点对接验证。结果：丹参-川芎有效成分与CHD-SAP交集靶点共118个，包括丝氨酸/苏氨酸蛋白激酶1（serine/threonine kinase 1，AKT1）和白细胞介素-6（interleukin-6，IL-6）等核心靶点。KEGG富集分析显示这些靶点显著富集于脂质与动脉粥样硬化（Lipid and atherosclerosis）、磷脂酰肌醇3-激酶-蛋白激酶B（phosphatidylinositol 3-kinase-protein kinase B signaling pathway，PI3K-AKT）等信号通路。分子对接结果显示槲皮素与IL-6、AKT1具有高亲和力。结论：丹参-川芎可能通过多成分、多靶点的方式，协同调控PI3K-AKT信号通路、炎症反应及动脉粥样硬化过程，从而干预CHD-SAP的进程。本研究为其作用机制阐释及临床应用提供了理论依据。 |
| 关键词: 冠心病稳定型心绞痛 丹参-川芎 信号通路 分子对接 网络药理学 |
| DOI： |
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| Mechanism of action of Salvia miltiorrhiza-Rhizoma Chuanxiong in treatment of coronary heart disease-stable angina pectoris: A study based on network pharmacology and molecular docking |
| WEN Pei,TANG Huiling,JIANG Zhitao,CHEN Cong,ZHANG Huiqing |
| (The Second Affiliated Hospital of Hunan University of Chinese Medicine，Changsha 410005，Hunan，China;Hunan University of Chinese Medicine，Changsha 410208，Hunan，China;The First Affiliated Hospital of Hunan University of Chinese Medicine，Changsha 410007，Hunan，China) |
| Abstract: |
| Objective: To investigate the potential mechanism of action of Salvia miltiorrhiza-Rhizoma Chuanxiong in the treatment of coronary heart disease （CHD）-stable angina pectoris （SAP） based on network pharmacology and molecular docking. Methods: Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform and BATMAN 2.0 database were used to obtain the active components of Salvia miltiorrhiza-Rhizoma Chuanxiong and their potential action targets，and Genecards was used to obtain the targets of SAP. R software was used to analyze intersecting targets and construct a protein-protein interaction （PPI） network and a component-target-disease network. R software was used to perform gene ontology （GO） function annotation and the Kyoto Encyclopedia of Genes and Genomes （KEGG） pathway enrichment analysis，and AutoDockTools v1.5.6 was used to simulate molecular docking between core targets. Results: There were 118 intersecting targets between the active components of Salvia miltiorrhiza-Rhizoma Chuanxiong and the targets of CHD-SAP，including the core targets such as serine/threonine kinase 1 （AKT1） and interleukin-6 （IL-6）. The KEGG pathway enrichment analysis showed that these targets were significantly enriched in the signaling pathways such as the lipid and atherosclerosis signaling pathway and the phosphatidylinositol 3 （PI3K）-kinase-protein kinase B （AKT） signaling pathway. Molecular docking showed that quercetin had high affinity to IL-6 and AKT1. Conclusion: Salvia miltiorrhiza-Rhizoma Chuanxiong intervenes against the progression of CHD-SAP by regulating the PI3K-AKT signaling pathway，inflammatory response，and atherosclerosis in a synergistic manner through multiple components and targets. |
| Key words: coronary heart disease-stable angina pectoris Salvia miltiorrhiza-Rhizoma Chuanxiong signaling pathway molecular docking network pharmacology |
