基于网络药理学的二陈丸治疗2型糖尿病的作用机制研究

The Mechanism of Erchen Pill in the Treatment of Type 2 Diabetes Based on Network Pharmacology

本文采用网络药理学-分子对接手段探索二陈丸治疗2型糖尿病的物质基础及作用机制。从TCMSP中药数据库获取二陈丸的活性成分及靶点,结合GeneCards数据库获取2型糖尿病的靶点信息,利用venny映射得到治疗2型糖尿病的潜在靶点,通过String数据库对潜在靶点进行蛋白相互作用(PPI)网络预测,再通过DAVID数据库对关键靶点进行GO和KEGG分析,借助Cytoscape 3.8.0软件构建"活性成分-疾病靶点-通路"的复杂网络通路,最后使用Autodock vina软件对二陈丸主要活性成分和作用靶点进行分子对接,进一步揭示二陈丸治疗2型糖尿病的作用机制。结果表明,二陈丸治疗2型糖尿病的关键成分有柚皮素、黄芩素和刺芒柄花素等17个,这些成分调控显著富集于TNF signaling pathway等信号通路的MMP9、NOS3和CAT等21个核心靶点,分子对接结果显示刺芒柄花素、柚皮素、黄芩素与MMP9、CAT和NOS3具有较强的亲和力。本研究通过网络药理学分析二陈丸治疗糖尿病的物质基础及作用机制,为其进一步研究奠定基础。

The network pharmacology and molecular docking were used to explore the substance basis and mechanism of Erchen pill in the treatment of type 2 diabetes mellitus.The active ingredients and targets of Erchen Pill were obtained from TCMSP database,the target information of type 2 diabetes was obtained by combining Gene Cards database,the potential targets for the treatment of type 2 diabetes were obtained by Venny mapping,and the protein interaction(PPI)network prediction of potential targets was performed by String database.GO and KEGG analysis were performed on key targets through DAVID database,and Cytoscape 3.8.0 software was used to construct a complex network pathway of"active ingredients-disease target-pathway".Finally,Autodock Vina software was used to conduct molecular docking of the main active ingredients and action targets of Erchen pill to further reveal the mechanism of erchen pill in the treatment of type 2 diabetes.The results showed Erchen pill had 17 key components in the treatment of type 2 diabetes mellitus,including naringin,baicalin and formonontin.These components regulated 21 core targets,such as MMP9,NOS3 and CAT,which are significantly enriched in TNF signaling pathway.The molecular docking results showed that formononetin,naringin and baicalin had strong affinity with MMP9,CAT and NOS3.