基于网络药理学方法探讨四妙勇安汤治疗动脉粥样硬化的作用机制

Mechanism of SimiaoYong’an Decoction for Atherosclerosis Based on Network Pharmacology

目的:通过网络药理学方法探讨四妙勇安汤治疗动脉粥样硬化的作用机制。方法:从中药系统药理学分析平台(TCMSP)中寻找与四妙勇安汤中四味中药相关的所有化学成分和作用靶点,构建化合物靶点相互作用网络图;通过OMIM数据库,TTD数据库以及PharmGkb数据库筛选动脉粥样硬化相关的靶点,进而构建疾病靶点相互作用网络图;筛选药物靶点和疾病靶点相互作用图的核心靶点,利用ClueGO对核心靶点进行GO分析,利用KEGG数据库对核心靶点进行相关通路富集。结果:选择口服利用度(OB)≥30%,类药性(DL)≥0.18作为化合物分子的筛选条件,筛选出四妙勇安汤132个活性成分和163个相应蛋白靶点;通过度、介度中心度、接近中心度等网络拓扑特征评价筛选出与四妙勇安汤在动脉粥样硬化方面作用核心靶点196个,GO分析共包含117条富集结果,其中生物过程77条,分子功能23条,细胞组成17条。利用KEGG数据库对入选靶标进行相关通路富集,筛选出20条通路在动脉粥样硬化方面具有作用。结论:通过网络药理学证实了四妙勇安汤多成分、多靶点、整体调节的作用特点,预测了四妙勇安汤治疗动脉粥样硬化的主要可能的作用机制,为其活性成分研究和实验研究提供理论依据。

Objective: Network pharmacology method was adopted in this study to explore the active compounds and mechanism of SimiaoYong'an Decoction for atherosclerosis. Method:Chemical components and targets related to the herbs in SimiaoYong'an Decoction were searched through Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP). Compound - target networkwas constmcted to explore the mechanism of SimiaoYong' an Decoction. Through OMIM database, TTD database and PharmGkb database, the target of atherosclerosis was selected, and the n the network diagram of disease target in teraction was constructedto screen the nuclear target of drug target and disease target interaction diagram. ClueGO was used to carry out GO analysis of the nuclear target, and the KEGG database to carry on the related pathway enrichment of the nuclear target. Results: According to the oral bioavailability( OB) greater than 30% and drug likeness ( DL) conditionsmore than 0. 18,132 active ingredients and 163 corresponding protein targets were selected out. Through the evaluation of network topological characteristics, such as degree, medium degree, and proximity to the center, 196 targets were selected to serve as the nuclear target in atherosclerosis. There were 117 gene ontology(GO) entries,including 77 biological process entries,23 function entries and 17 cell component entries. The KEGG database was used for the enrichment of the selected targets, and 20 pathways were selected to play a role. Conclusion :This study revealed the main active compounds and possible mechanism of SimiaoYong'an Decoction for treatment of atherosclerosis. And meanwhile, it verified the characteristics of multi- components, multi - targets and integral regulation for SimiaoYong'an Decoction, predicting the main possible mechanism for the treatment of atherosclerosis and providing the theoretical basis for the study of active ingredients and experimental research.