基于网络药理学探讨桦褐孔菌降血糖功效成分及作用机制

目的:本研究基于网络药理学和分子对接技术探究桦褐孔菌降血糖功效成分及作用机制研究。方法:通过文献大数据挖掘获取桦褐孔菌主要成分,利用OMIM、DisGeNET和GAD数据库收集降血糖相关基因,Cytoscpe软件构建桦褐孔菌成分-靶点相互关系网络。主要靶点通过DAVID数据库进行GO和KEGG富集,并对KEGG信号通路进行可视化。最后,采用PyRx软件对成分与核心靶点进行分子对接。结果:筛选得到25, 26-二羟维生素D、桦褐孔菌酸,栓菌酸和桦褐孔菌醇烷D等19种成分为桦褐孔菌降血糖的功效成分,作用于AKT1、AGTR1、ADRA2B和HSP90AA1等21个关键靶点,参与调控89条信号通路。分子对接结果发现疏水作用和氢键连接是其主要的作用形式。结论:本研究通过桦褐孔菌主要成分降血糖的功效研究筛选出19个核心活性成分,为桦褐孔菌相关产品开发及其质量控制提供科学的依据。

Action Mechanism of Inonotus obliquus in the Treatment of Diabetes and the Material Basis of Pharmacodynamics Based on Network Pharmacology

Objective: In this paper, exploring the hypoglycemic mechanism and functional ingredients of Inonotus obliquus based on network pharmacology and molecular docking technology. Methods: The main components of Inonotus obliquus were obtained by literature mining. Diabetes-related genes were collected by DisGeNET, GAD and OMIM database. The relationship network of compounds-target was constructed through Cytoscpe software. The target was analyzed by GO and KEGG in DAVID database. The KEGG signal pathway was visualized. Component-Target network analysis results were verified by PyRx molecular docking. Results: The 19 compounds of Inonotus obliquus were screened, including inonotic acid, trametenolic acid, inotodiol and inonotusane D etc, as the effective ingredients for Inonotus obliquus of lower blood sugar. Act on 21 key targets such as AKT1, AGTR1, ADRA2B and HSP90AA1, additionally participating in 89 signal pathways through these technologies. Molecular docking analysis showed that hydrogen bonding and hydrophobic effecting maybe the main forms of interaction. Conclusion: In this study, 19 core active compounds were screened out based on the research on hypoglycemic efficacy basis of the main components of Inonotus obliquus in anti-diabetes, which would provide a scientific basis for the development and quality control of Inonotus obliquus related products.