目的 应用网络药理学研究二陈汤治疗冠心病的作用靶点、代谢物、信号通路等，从而揭示其从痰瘀论治冠心病的分子机制。方法 应用中药系统药理学技术平台（TCMSP）、中药潜在靶点数据库（TCM-PTD）、中药综合数据库（TCMID），找到二陈汤的主要成分，并通过ChemMapper数据库进行靶点预测，筛选成分靶点。通过TTD、Drugbank、DisGeNET数据库进行检索，获得冠心病相关的疾病靶点。将疾病靶点与药物靶点进行交集，筛选得到疾病-药物成分共同靶蛋白。应用STRING平台构建蛋白-蛋白相互作用（PPI）网络模型。应用MetaboAnalyst数据库将上述筛选出成分进行代谢物分析，筛选出主要代谢物。采用Cytoscape的MetScape及ClueGO插件分别分析二陈汤治疗冠心病相关靶点的基因功能及代谢通路，构建二陈汤主要药物成分-代谢物-靶点-信号通路拓扑网络。结果 经数据库分析共筛选出二陈汤的8种主要成分及与冠心病相关的靶点56个，同时筛选出与二陈汤主要成分相关的代谢物13个及相关信号通路13个；在此基础上构建了二陈汤的成分-靶点、成分-冠心病靶点及相关代谢及信号通路的共表达网络，发现二陈汤可能通过保护血管内皮、抗氧化应激、抗炎修复等多靶点、多途径发挥对冠心病的治疗作用。结论 从多角度探索了二陈汤从痰瘀论治冠心病的潜在分子机制，揭示了二陈汤的药理作用，为其后续临床疗效评价指标的筛选提供了研究方向。

Objective To explore the targets, metabolites, and signal pathways of Erchen Decoction based on network pharmacology and to reveal the molecular mechanism of Erchen Decoction in the treatment of coronary heart disease (CHD) by "phlegm and blood stasis". Methods TCMSP, TCM-PTD, and TCMID were used to find the main ingredients of Erchen Decoction. Targets of Erchen Decoction were predicted by using ChemMapper database. The targets related with coronary heart disease were obtained by searching through TTD, Drugbank, and DisGeNET databases. The common targets of disease-drug component were selected by intersecting disease targets with drug targets. A protein-protein interaction (PPI) network model was constructed using the STRING platform. The metabolites of above-mentioned and selected components were analyzed using the MetaboAnalyst database to screen out the main metabolites. MetScape and ClueGO APP in Cytoscape were used to analyze the gene function and metabolic pathway of Erchen Decoction in the treatment of CHD, and to construct the main drug component-metabolite-target-signal pathway topology network of Erchen Decoction. Results Eight main drug ingredients of Erchen Decoction, 56 predicted targets related with CHD, and 13 metabolites and 13 signal pathways related to the main components of Erchen Decoction were screened out by network analysis at the same time. The molecular network of compounds of Erchen Decoction-metabolites-CHD targets-signal pathways were constructed based on all the targets. The results showed that Erchen Decoction may play a therapeutic role in CHD by protecting vascular endothelium, anti-oxidative stress, anti-inflammatory and injury repair by multi-targets and multi-pathways. Conclusion This research explores the possible molecular mechanism of Erchen Decoction in the treatment of CHD by "phlegm and blood stasis" and reveals the pharmacological effects of Erchen Decoction to provide direction for carrying out the follow-up evaluation of curative effect of Erchen Decoction in clinic.

国家自然科学基金面上项目（81874372）；辽宁省教育厅重点项目（L201701）