基于网络药理学和分子对接探究香青兰保护脑卒中的作用机制  

Exploring the mechanism of Dracocephalum moldavica L.protecting stroke based on network pharmacology and molecular docking

作　　者：吴鹏 杨占君[2] WU Peng;YANG Zhanjun(Inner Mongolia Key Laboratory of Molecular Pathology,Hohhot 010000,China;Department of Human Anatomy,Baotou Medical College)

机构地区：[1]内蒙古分子病理学重点实验室,内蒙古呼和浩特010000 [2]包头医学院人体解剖学教研室

出　　处：《包头医学院学报》2024年第6期1-6,13,共7页Journal of Baotou Medical College

基　　金：国家自然科学基金(82260097);内蒙古医科大学青年培育项目(YKD2021QN031)。

摘　　要：目的:基于网络药理学研究香青兰(Dracocephalum moldavica L.)对于脑卒中的保护作用机制。方法:通过NCBI、CNKI找出香青兰有效成分,使用Pubchem、swiss target prediction数据库预测香青兰的有效靶点,运用GeneCards、Omim数据库搜索与脑卒中(cerebral stroke)相关靶基因,构建维恩图筛选交集基因,利用cytoscape建立药物、成分、靶点、疾病关系网络图并可视化,利用String软件构建蛋白网络互作图,利用DAVID数据库进行GO富集和KEGG分析。结果:通过查找文献共找出香青兰有效成分23个,对应的靶点有1682个,主要分子有NADPH氧化酶4(NOX4)、黄嘌呤氧化脱氢酶(XDH)、髓过氧化物酶(MPO)等;通过PPI拓扑分析得到核心靶点57个;GO富集分析显示涉及生物过程(biological process,BP)443个、分子功能(molecular function,MF)104个、细胞组成(cellular component,CC)66个;KEGG结果显示共涉及信号通路有143个,其中主要有癌症通路(hsa05200:pathways in cancer)、PI3K-Akt信号通路(hsa04151:PI3K-Aktsignaling pathway)、神经活性配体-受体相互作用(hsa05022:neuroactive ligand-receptor interaction)等。结论:本研究初步揭示了香青兰可通过多种靶点、通路等治疗脑卒中,为进一步科学实验提供理论基础。Objective:To investigate the protective effect of Dracocephalum moldavica L.on stroke based on network pharmacology.Methods:The effective components of Dracocephalum moldavica L.were searched by NCBI and CNKI.The effective targets of Dracocephalum moldavica L.were predicted by Pubchem and swiss target prediction databases.The target genes related to cerebral stroke were searched by GeneCards and Omim databases.The Venn diagram was constructed to screen the intersection genes.Cytoscape was used to establish and visualize the network diagram of drugs,components,targets and diseases.String software was used to construct the protein network interaction diagram.GO enrichment and KEGG analysis were performed using the DAVID database.Results:A total of 23 effective components of Dracocephalum moldavica L.were found by searching the literature,and there were 1682 corresponding targets.The main molecules were NADPH oxidase 4(NOX4),xanthine dehydrogenase(XDH),myeloperoxidase(MPO),etc.Through PPI topology analysis,57 core targets were obtained;GO enrichment analysis showed that 443 biological processes(BP),104 molecular functions(MF)and 66 cellular components(CC)were involved.The results of KEGG showed that 143 signaling pathways were involved,including cancer pathway(hsa05200:pathways in cancer),PI3K-Akt signaling pathway(hsa04151:PI3K-Aktsignaling pathway),neuroactive ligand-receptor interaction(hsa05022:neuroactive ligand-receptor interaction)and so on.Conclusion:This study preliminarily revealed that Dracocephalum moldavica L.can treat stroke through a variety of targets and pathways,providing a theoretical basis for further scientific experiments.

关 键 词：香青兰 脑卒中 网络药理学 分子对接 作用机制 

分 类 号：R285[医药卫生—中药学]