文献类型：期刊文献

中文题名：基于网络药理学和分子对接探讨中风膏治疗脑缺血再灌注损伤的作用机制

英文题名：Exploring the mechanism of action of Zhongfeng Gao(中风膏)in treating cerebral ischemia reperfusion injury based on network pharmacology and molecular docking

作者：韩静[1];王蒙[2];寇贤丽[3];苏嵘[2];杨春婷[2];高夏青[2];黄生辉[3];李海龙[1,2,4]

第一作者：韩静

机构：[1]甘肃中医药大学附属医院科研科,甘肃兰州730020;[2]甘肃中医药大学第一临床医学院,甘肃兰州730101;[3]甘肃省中医院神志病科(睡眠中心),甘肃兰州730050;[4]甘肃中医药大学附属医院老年病科,甘肃兰州730020

第一机构：甘肃中医药大学第二附属医院

年份：2025

卷号：42

期号：2

起止页码：51

中文期刊名：甘肃中医药大学学报

外文期刊名：Journal of Gansu University of Chinese Medicine

基金：甘肃省联合科研基金项目(23JRRA1536);2023年全国中药特色技术传承人才培训项目(T20234832005)。

语种：中文

中文关键词：脑缺血再灌注损伤;中风膏;网络药理学;分子对接;作用机制

外文关键词：cerebral ischemia reperfusion injury;Zhongfeng Gao(中风膏);network pharmacology;molecular docking;mechanism of action

摘要：目的基于网络药理学和分子对接技术探讨中风膏治疗脑缺血再灌注损伤(CIRI)的作用机制,为其临床应用及后续研究提供参考。方法通过中药系统药理学数据库与分析平台(TCMSP)获取中风膏的主要活性成分及其靶点;通过GeneCards数据库获取CIRI的主要作用靶点;通过微生信网站得到中风膏与CIRI的共同靶点;利用STRING数据库构建蛋白质-蛋白质相互作用(PPI)网络,并利用Cytoscape 3.8.0软件及其“CytoNCA”插件筛选核心靶点;运用AutoDock及Pymol软件对筛选的关键靶点与中风膏活性成分进行分子对接分析。结果从中风膏中筛选得到230种活性成分及259个作用靶点,同CIRI相关的核心活性成分为槲皮素、山奈酚、木犀草素、7-甲基异木糖醇、丹参酮IIA等,关键靶点为RELA原癌基因(RELA)、雌激素受体1(ESR1)、热休克蛋白90α家族A类成员1(HSP90AA1)、Akt1激酶(AKT1)、丝裂原活化蛋白激酶14(MAPK14)等;分子对接结果显示,所筛选的活性成分与对应靶点均具有较好的结合活性。结论中风膏通过其活性成分槲皮素、山奈酚、木犀草素、7-甲基异木糖醇、丹参酮IIA调控神经细胞功能和相关信号通路,并通过RELA、ESR1、HSP90AA1、AKT1、MAPK14等关键核心靶点发挥神经保护作用。
Objective To explore the mechanism of action of Zhongfeng Gao(中风膏)in treating cerebral ischemia reperfusion injury(CIRI)based on network pharmacology and molecular docking technology,and to provide a reference for its clinical application and subsequent research.Methods The main active components and their targets of Zhongfeng Gao were obtained through the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TCMSP);the main targets of CIRI were obtained through the GeneCards database;the common targets of Zhongfeng Gao and CIRI were obtained through the Microbiolome website;the protein-protein interaction(PPI)network was constructed using the STRING database,and the core targets were screened using Cytoscape 3.8.0 software and its“CytoNCA”plugin;molecular docking analysis was conducted on the key targets and active components of Zhongfeng Gao using AutoDock and Pymol software.Results A total of 230 active components and 259 targets were screened from Zhongfeng Gao.The core active components related to CIRI were quercetin,kaempferol,luteolin,7-methylisoliquiritol,and tanshinone IIA,etc.,and the key targets were RELA proto-oncogene,estrogen receptor 1(ESR1),heat shock protein 90αfamily member A1(HSP90AA1),Akt1 kinase(AKT1),mitogen-activated protein kinase 14(MAPK14),etc.Molecular docking results showed that the selected active components had good binding activity with their corresponding targets.Conclusion Zhongfeng Gao exerts neuroprotective effects by regulating neurocellular functions and related signaling pathways through its active components such as quercetin,kaempferol,luteolin,7-methylisoliquiritol,and tanshinone IIA,and through key core targets such as ESR1,RELA,HSP90AA1,AKT1,and MAPK14.