基于网络药理学与分子对接技术探究蒙药匝迪-5对缺血性心脏病和缺血性脑卒中“心脑同治”的作用机制  

Exploration on mechanisms of Nutmeg-5 treating ischemic heart disease and ischemic stroke with concept of“treating heart and brain together”based on network pharmacology and molecular docking technology

作　　者：王凯 张雪妮 王建华 贾鑫[2] 朱小玲 董玉 WANG Kai;ZHANG Xueni;WANG Jianhua;JIA Xin;ZHU Xiaoling;DONG Yu(College of Pharmacy,Inner Mongolia Medical University,Hohhot 010059,China)

机构地区：[1]内蒙古医科大学药学院,呼和浩特010059 [2]内蒙古医科大学附属医院药学部 [3]内蒙古自治区国际蒙医医院药学部

出　　处：《环球中医药》2023年第6期1105-1117,共13页Global Traditional Chinese Medicine

基　　金：内蒙古自治区科技计划(2019GG128)。

摘　　要：目的以“心脑同治”理论为依据,采用网络药理学与分子对接方法探究匝迪-5对缺血性心脏病和缺血性脑卒中的作用机制。方法通过TCMSP数据库与分析平台筛选得到匝迪-5中活性成分以及潜在靶点,从OMIM数据库、Gene Card数据库、药物靶标数据库中获取缺血性心脏病和缺血性脑卒中疾病相关靶点,取交集获取相交靶点,建立“药材—化学成分—靶点—疾病”网络。构建蛋白相互作用网络,利用DAVID平台对相交靶蛋白进行GO富集分析和KEGG通路富集分析。运用Auto dock 4.2软件进行分子对接。结果筛选出疾病与药物相交靶点104个,关键靶点有CASP3、VEGFA、TNF等10个,相交靶点主要富集在MAPK信号通路、糖尿病并发症晚期糖基化终产物及其受体信号通路、Rap1信号通路等多条信号通路中。结论匝迪-5通过多种活性成分、多靶点、多途径作用于炎症反应、细胞凋亡等途径,治疗缺血性心脏病及缺血性脑卒中,实现“心脑同治”,为后续研究提供参考。Objective Based on the theory of“treating heart and brain together”,the network pharmacology and molecular docking method were used to explore Nutmeg-5 on ischemic heart disease and ischemic stroke.Methods The active ingredients and potential targets of Nutmeg-5 were screened through TCMSP database,the targets related to ischemic heart disease and ischemic stroke disease were obtained from OMIM,Gene Card and TTD databases.The common targets obtained from the intersection were used to the network of“drugs-chemical components-targets-diseases”.Protein-protein interaction(PPI)network was constructed,and the GO enrichment analysis and KEGG pathway enrichment analysis of intersecting target proteins were carried out by DAVID platform.Molecular docking was performed using the Autodock 4.2.Results There were 104 intersecting targets between diseases and drugs were selected,and 10 key targets were CASP3,VEGFA,TNF,etc.The intersecting targets are mainly concentrated in MAPK signal pathway,AGE-RAGE signal pathway in diabetic complications,Rap1 signal pathway,etc.Conclusion Nutmeg-5 can treat ischemic heart disease and ischemic stroke by multiple active ingredients,multiple targets and multiple ways,and realize the“treating heart and brain together”,which can provide reference for follow-up research.

关 键 词：匝迪-5 网络药理学 心脑同治 缺血性心脏病 缺血性脑卒中 

分 类 号：R543[医药卫生—心血管疾病]