摘要
目的:基于网络药理明确天麻素发挥药理作用的分子机制。方法:天麻素化学结构基于中药系统药理学数据库和分析平台(Traditional Chinese Medicine Systems Pharmacology,TCMSP)下载,靶标蛋白筛选基于SwissTargetPrediction(http://www.swisstargetprediction.ch/)数据库,基于DAVID数据库对靶点进行生物过程(biological process,BP)、细胞成分(cellular component,CC)以及分子功能(molecular function,MF)进行分析,100个靶标通过STRING进行相互作用分析,基于Cytoscape 3.5.1中的Cytohubba模块筛选出关键基因。结果:天麻素筛选出100个靶点,共参与102条通路(P<0.05);主要参与one-carbon metabolic process(碳代谢过程)、response to drug(药物反应)、proteolysis(蛋白水解)等生物过程;主要存在plasma membrane(质膜)、melanosome(黑素体)、dendrite cytoplasm(树突细胞质)等细胞成分;分子功能上,100个靶点主要有insulin receptor substrate binding(胰岛素受体底物结合)、phosphatidylinositol 3-kinase binding(磷脂酰肌醇3-激酶结合)等,甘油醛-3-磷酸脱氢酶(glyceraldehyde-3-phosphate dehydrogenase,GAPDH)为关键靶点。通过分子对接明确天麻素与GAPDH有较强的结合活性(Total-Score=7.5)。结论:初步明确天麻素调节的靶点,为动物、细胞实验提供理论依据。
Objective To screen the molecular mechanism of Gastrodin in pharmacological action based on network pharmacology. Methods Chemical structure of Gastrodin based on TCMSP download, Screening of target proteins based on SwissTarget Prediction database, biological process, cellular component and molecular function of target based on DAVID database, 100 targets were analyzed by STRING and key genes were screened based on Cytohubba in Cytoscape 3.5.1. Results Gastrodin screened out 100 targets and participated in 102 pathways(P<0.05), There are mainly plasma membrane, melanosome, dendrite cytoplasm and other cellular components;insulin receptor substrate binding, phosphatidylinositol 3-kinase binding etc;In molecular function, 100 targets are mainly involved in participate in biological processes such as one-carbon metabolic process, response to drug, proteolysis etc;GAPDH, CASP3, MAPK1 and MGAM are key targets.The binding activity of gastrodin to GAPDH was confirmed by molecular docking(Total-Score=7.5). Conclusion The target of gastrodin regulation was preliminarily identified to provide theoretical basis for animal and cell experiments.
作者
罗竹
杨欣
冯俐
李亚辉
吕润霖
韩彩瑶
邓万娟
李专
张鹏飞
LUO Zhu;YANG Xin;FENG Li;Li Yahui;LV Runlin;HAN Caiyao;DENG Wanjuan;LI Zhuan;ZHANG Pengfei(Guizhou University of Traditional Chinese medicine,Guiyang 550025,China)
出处
《中国民族民间医药》
2019年第21期26-31,共6页
Chinese Journal of Ethnomedicine and Ethnopharmacy
基金
贵州省科技计划项目黔科合平台人才([2017] 5735-11)
贵中医一流专业大创合字([2017] 158)
贵州省教育厅青年科技人才成长项目([2018]211)
贵州省科技计划项目([2019]1028)
关键词
天麻素
网络药理学
通路分析
功能分析
Gastrodin
Network Pharmacology
Pathway Analysis
Functional Analysis
