摘要
运用网络药理学分析羌活的药理作用机制.通过中药系统药理学分析平台(TCMSP)数据库筛选羌活优效化合物,使用BATMAN-TCM、SwissTargetPrediction、STITCH网络服务器预测成分靶点,应用Cytoscape 3.9.1、String 11.5数据库等构建化合物-靶点网络、蛋白质间相互作用(PPI)网络,筛选出核心基因,运用DAVID 6.8数据库对靶点进行基因本体功能分析.共筛选出羌活的优效化合物15个,包括羌活酚、白芷乙素、去甲呋喃羽叶芸香素、异欧前胡素、6'-O-反式阿魏酰基紫花前胡苷等.化合物靶点有170个,包括COX7B、COX4I1、MT-CO1等,主要涉及对药物的反应、外源代谢过程及对外源刺激的反应等生物过程,为羌活优效化合物的发现及其药理作用机制的探索奠定了基础.
Abstract
The study analyzes the pharmacological mechanism of Notopterygiuminchum with network pharmacology.Through TCM System Pharmacological Analysis Platform(TCMSP)database,the study screens the superior efficacy compounds of Notopterygiuminchum,predicts the component targets with Batbat-TCM,SwissTargetPrediction and STITCH network servers,constructs the compound target network and protein-protein interaction(PPI)network,screens out the core genes with Cytoscape 3.9.1 and String 11.5 databases,and performs the gene ontology function analysis on the target with DAVID 6.8 database.A total of 15 compounds of Notopterygiuminchum are screened,including notopterygium phenol,angelicol,nofuranolopidin,isoimperatorin,and 6'-O-trans-feruloyl purpuroside,etc.There are 170 compound targets,including COX7B,COX4I1,MT-CO1,etc.,mainly involved in biological processes:drug response,exogenous metabolic process and response to exogenous stimuli,etc.This lays foundation for the discovery of Notopterygiuminchum compounds and the exploration of pharmacological mechanisms.
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