基于网络药理学和分子对接探讨黄连素治疗2型糖尿病机制研究

Study on the mechanism of berberine for treatment of T2DM based on network pharmacology and molecular docking

目的:基于网络药理学和分子对接探讨黄连治疗2型糖尿病(type 2 diabetes mellitus,T2DM)的分子机制。方法:利用TCMSP,OMIM等数据库筛选与T2DM作用的靶点,运用Cytoscape对化合物-靶点网络可视化,DAVID数据库进行GO,KEGG富集分析,并对核心靶点进行分子对接。结果:筛选出有效化合物7个;与T2DM相关的靶点59个;GO,KEGG分析主要与AGE-RAGE,MAPK,PI3K-AKT等信号通路相关;分子对接结果显示核心靶点与黄连素稳定结合进而可通过调控炎症反应等分子机制,从而影响T2DM的过程。结论:本研究黄连治疗T2DM的过程体现了中药多成分-多靶点-多途径的作用特点,为黄连治疗T2DM作用机制的方法研究提供了新思路和新方法。

Objective:To explore the molecular mechanism of Coptis chinensis Franch.in treating type 2 diabetes mellitus(T2 DM)based on network pharmacology and molecular docking.Methods:TCMSP,OMIM and other databases were used to screen targets interacting with T2 DM.Cytoscape was used to visualize the compound-target network.The DAVID database was analyzed for GO and KEGG enrichment.Core targets were molecularly docked.Results:Seven effective compounds and 59 targets related to T2 DM were screened out;GO and KEGG analysis obtained the main related signal pathways such as AGE-RAGE,MAPK,PI3K-AKT;molecular docking results showed that the core target was stably bound to berberine.Furthermore,it could affect the process of T2 DM by regulating molecular mechanisms such as inflammatory response.Conclusion:The treating process of Coptis chinensis Franch.for T2 DM reflects the multi-components-multi-targets-multi-pathway characteristics of traditional Chinese medicine.This study provides new ideas and methods for the study of the mechanism of Coptis chinensis in treating T2 DM.