期刊论文

Network pharmacology and molecular docking-based research on the molecular mechanism of Gardeniae Fructus against cerebral ischemic stroke

中文

中成药

1001-1528

2021

43

09

2352-2359

10.3969/j.issn.1001-1528.2021.09.013

国家自然科学基金（81503197）； 湖南省自然科学基金科药联合基金（2021JJ80051）； 湖南省自然科学青年基金（2018JJ3310）； 湖南省中医药科研计划项目（201810）； 湖南省中医药管理局青年课题（2021164）； 湖南省中医药研究院科研计划项目（201705）；

本校为第一机构

目的基于网络药理学及分子对接方法,探讨栀子活性成分治疗缺血性脑卒中（CIS）的相关作用靶点及潜在分子机制。方法检索中药系统药理学数据库与分析平台（TCMSP）及国内外文献筛选获得活性成分及其对应靶点;检索GeneCards、OMIM等数据库获得CIS疾病相关靶点;采用STRING分析靶点蛋白的互作关系;利用Cytoscape软件构建并合并活性成分靶点及疾病靶点相互作用关系网络,通过网络拓扑分析筛选出关键基因,并对核心靶点进行GO和KEGG信号通路富集分析;最后,利用MOE软件对关键靶点与核心成分进行分子对接。结果共检索到98种活性成分,成分作用靶标97个,疾病靶标4 409个,通过网络拓扑分析筛选出80个关键基因...

AIM To explore the mechanism of Gardeniae Fructus in the treatment of cerebral ischemic stroke (CIS) based on network pharmacology and molecular docking. METHODS According to the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP),the library of chemical constituents and its corresponding targets of Gardeniae Fructus was established by referring to Chinese and foreign literature reports. The targets related to CIS were found through GeneCards,OMIM online analysis platform. The proteinprotein interaction (PPI...