目的 运用网络药理学联合分子对接方法探讨温胆汤治疗冠心病合并抑郁的作用机制。方法 通过TCMSP与TCMIP数据库获取温胆汤的活性成分及其作用靶点，以UniProt数据库将靶点规范化命名。通过GeneCards、Disgenet数据库获取冠心病与抑郁相关疾病靶点并取二者交集，取温胆汤与冠心病合并抑郁的交集靶点并进行基因本体论（GO）功能分析和京都基因和基因组百科全书（KEGG）通路富集分析，利用AutoDock软件将主要的活性成分与核心靶点进行分子对接验证。结果 网络药理学分析显示温胆汤中43个有效成分与49个靶点与冠心病合并抑郁关联密切，与炎症反应、免疫反应、细胞凋亡、胰岛素抵抗、NO的生物合成、平滑肌细胞增殖调控、DNA结合转录因子的调控、细胞外间隙、类固醇结合等生物学过程密切相关，作用涉及HIF-1、肿瘤通路、雌激素信号通路、TNF信号通路、T细胞受体通路等，分子对接结果显示成分与靶点结合较好的是黄芩苷-ALB与黄芩苷-TNF。结论 温胆汤作为一种临床常用方剂可以通过多靶点、多通路、多机制对冠心病合并抑郁进行干预。

Objective To investigate the mechanism of Wendan Decoction in treatment of coronary heart disease combined with depression. Methods The active ingredients of Wendan Decoction and their action targets were acquired by TCMSP and TCMIP database, and the targets were named by normalizing with UniProt database. Disease targets associated with depression were accessed through GeneCards Disgenet databases. The intersection targets of Wendan Decoction and coronary heart disease combined with depression were taken and subjected to gene ontology (GO) function and KEGG pathway enrichment analysis, and finally, the main active ingredients were validated by molecular docking with core targets using autodock software. Results Network pharmacology analysis revealed that 43 active ingredients and 49 targets in Wendan Decoction were closely associated with the disease, and biological processes, such as inflammatory response, immune response, apoptosis, insulin resistance, biosynthesis of NO, regulation of smooth muscle cell proliferation, regulation of DNA binding transcription factor, extracellular space, steroid binding, involved HIF-1, tumor pathway Estrogen signaling pathway, TNF signaling pathway, T cell receptor pathway, etc. The better molecular docking results were obtained between baicalein-ALB and baicalein-TNF. Conclusion As a kind of formula commonly used in clinic, Wendan Decoction can intervene on coronary heart disease combined with depression through multi-target, multi pathway, and multi mechanism.

R285.5

国家自然科学基金资助项目（82160887）