基于网络药理学的阿魏八味丸治疗美尼尔综合征的作用机制

Study on Mechanism of Awei Bawei Pill in treating Meniere's Syndrome based on network pharmacology

目的:基于网络药理学及分子对接技术探讨蒙药制剂阿魏八味丸治疗美尼尔综合征作用机制,为中蒙药治疗美尼尔综合征提供系统生物学信息和理论基础。方法:应用TCMSP、BATMAN-TCM和SwissTargetPrediction数据库及查阅文献方式挖掘阿魏八味丸的活性成分;运用GeneCards、OMIM以及DrugBank数据库获取美尼尔综合征相关靶点;将药物靶点和疾病靶点进行映射,得到交集靶点;在此基础上,通过STRING网络平台构建PPI网络并利用Cytoscape 3.9.1软件筛选出核心基因;采用DAVID数据平台进行GO富集分析与KEGG通路富集分析;最后通过分子对接技术对获得的关键活性成分和核心靶点进行验证分析。结果:获得阿魏八味丸的活性成分37个,预测作用靶点521个,美尼尔综合征相关基因695个,阿魏八味丸治疗美尼尔综合征的关键靶点15个;共筛选出阿魏八味丸治疗美尼尔综合征的9种关键活性成分,5个核心靶点;GO富集分析展示细胞组分(CC)、分子功能(MF)、生物进程(BP)的前5个条目,KEGG通路富集分析得到20条主要通路;通过分子对接,发现其药效物质基础与核心靶标有较好的结合力。结论:阿魏八味丸可以通过多成分、多靶点和多通路的作用机制协同发挥治疗美尼尔综合征的作用。

Objective:To explore the mechanism of treating Meniere's syndrome with Awei Bawei Pill,a Mongolian medicine preparation,based on network pharmacology and molecular docking technology,and provide systematic biological information and theoretical basis for treating Meniere's syndrome with Chinese and Mongolian medicines.Methods:The active ingredients of Awei-8 Pill were discovered by searching the TCMSP,BATMAN-TCM and SwissTargetPrediction databases and reviewing the literature;GeneCards,OMIM and DrugBank databases were used to obtain the related targets of Meniere's syndrome,and the drug-disease targets were mapped to obtain the intersection targets;the PPI network was constructed by STRING network platform and the core genes were screened by Cytoscape 3.9.1 software.STRING network platform to construct PPI network and use Cytoscape 3.9.1 software to screen out core genes;DAVID data platform was used for GO enrichment analysis and KEGG enrichment analysis;finally,the key active ingredients and core targets obtained were validated and analyzed by molecular docking technology.Results:37 active ingredients,521 predicted action targets,695 genes related to Meniere's syndrome,and 15 key targets for the treatment of Meniere's syndrome with A.ferrugineum were obtained;a total of 9 key active ingredients and 5 core targets for the treatment of Meniere's syndrome with A.ferrugineum were screened;GO enrichment analysis showed the first five items of cell component(CC),molecular function(MF)and biological process(BP),KEGG pathway enrichment yielded 20 major pathways;molecular docking showed that the key active ingredients had good binding ability to the core targets.Conclusions:Awei Bawei Pill can play a synergistic role in treating Meniere's syndrome through multi-component,multi-target and multi-channel mechanism.