柴胡加龙骨牡蛎汤“异病同治”冠心病和焦虑症的网络药理学作用机制

目的 应用网络药理学和分子对接方法探讨柴胡加龙骨牡蛎汤“异病同治”冠心病和焦虑症的作用机制。方法 利用TCMSP、BATMAN-TCM数据库获得柴胡加龙骨牡蛎汤的活性成分及对应靶点,结合GeneCards数据库获取冠心病和焦虑症相关的疾病靶点;对药物与疾病靶点映射得到的柴胡加龙骨牡蛎汤治疗冠心病和焦虑症的共有靶点,通过STRING平台构建蛋白互作网络;运用R语言对共有靶点进行基因本体(GO)富集分析与京都基因和基因组百科全书(KEGG)通路富集分析;采用 Cytoscape3.7.1软件构建“活性成分-靶点-通路”网络;应用Auto Dock vina软件对PPI网络中关键靶点与主要活性成分进行分子对接。结果 网络分析结果显示,柴胡加龙骨牡蛎汤中74个有效活性成分参与调控92个共有靶点,通过调节丝裂原活化蛋白激酶(MAPK)信号通路、白细胞介素17(IL-17)信号通路、5-羟色胺能突触、磷脂酰肌醇3-激酶(PI3K)、蛋白激酶B(Akt)等121条信号通路实现对冠心病和焦虑症“异病同治”的作用。结论 现有研究初步揭示了柴胡加龙骨牡蛎汤“异病同治”冠心病和焦虑症多成分、多靶点、多通路的作用机制,可能为后续深入研究提供新方向。

The Mechanisms of Chaihu Longgu Muli Decoction for "Treating Different Diseases with Same Method" in the Treatment of Coronary Heart Disease and Anxiety Disorder Based on Network Pharmacology

Objective To observe the mechanism of Chaihu Longgu Muli Decoction for "treating different diseases with same method" in the treatment of coronary heart disease and anxiety disorder based on network pharmacology and molecular docking method.Methods The active components and corresponding targets of Chaihu Longgu Muli Decoction were obtained by TCMSP and BATMAN-TCM database,combining GeneCards database to obtain disease targets related to coronary heart disease and anxiety disorder.The common targets of Chaihu Longgu Muli Decoction in the treatment of coronary heart disease and anxiety disorder between components and disease targets were screened to build the protein-protein interaction network by STRING,and targets of Chaihu Longgu Muli Decoction for treatment of coronary heart disease and anxiety disorder.The common targets were analyzed by GO enrichment analysis and KEGG pathway enrichment was analysed by R language.The active ingredient-target-pathway network was established using Cytoscape 3.7.1.Auto Dock Vina software to conduct molecular docking between key targets and main active ingredients in PPI network.Results Network analysis indicated that 74 active ingredients of Chaihu Longgu Muli Decoction were involved in the regulation of 92 common targets,by regulating mitogen-activated protein kinase(MAPK) signal pathway,interleukin-17(IL-17) signal pathway,serotonergic synapse,phosphatidylinositide 3-kinases(PI3K)-protein kinase B(Akt) and other signal pathways to achieve the effect of "treating different diseases with same method" for coronary heart disease and anxiety disorder.Conclusion This study preliminarily revealed the mechanism of multi-component,multi-target,and multi-pathway action of Chaihu Longgu Muli Decoction in the treatment coronary heart disease and anxiety disorder with the same treatment of different diseases,which could provide a new direction for further research.