基于网络药理学和分子对接研究淫羊藿治疗抑郁症的抗炎作用机制  

Anti-inflammatory Mechanism of Epimedii Folium in Treatment of Depression Based on Network Pharmacology and Molecular Docking

作　　者：苏晓乾[1] 夏长波 严福林 李元杰 雍婧姣 高晓娟[2] 陶伟伟[4] 王汉卿[2] 赵建军 SU Xiao-qian;XIA Chang-bo;YAN Fu-lin;LI Yuan-jie;YONG Jing-jiao;GAO Xiao-juan;TAO Wei-wei;WANG Han-qing;ZHAO Jian-jun(General Hospital of Ningxia Medical University,Yinchuan 750004,China;College of Pharmacy,Ningxia Medical University,Yinchuan 750004,China;Guizhou University of Traditional Chinese Medicine,Guiyang 550025,China;Key Laboratory for Encephalopathy of Chinese Medicine,School of Basic Medicine,Nanjing University of Chinese Medicine,Nanjing 210023,China;Ningxia Research Center of Modern Hui Medicine Engineering and Technology,Ningxia Medical University,Yinchuan 750004,China)

机构地区：[1]宁夏医科大学总医院,银川750004 [2]宁夏医科大学药学院,银川750004 [3]贵州中医药大学,贵阳550025 [4]南京中医药大学基础医学院中医脑病学重点实验室,南京210023 [5]宁夏医科大学宁夏回药现代化工程技术研究中心,银川750004

出　　处：《中国实验方剂学杂志》2020年第17期162-169,共8页Chinese Journal of Experimental Traditional Medical Formulae

基　　金：国家自然科学基金项目(81360624);宁夏重点研发计划(东西部合作)项目(2017BY079);中央本级重大增减支项目(2060302);宁夏青年科技人才托举工程项目(TJGC2018016)。

摘　　要：目的:采用网络药理学方法预测淫羊藿治疗抑郁症的抗炎靶点及相关信号通路,探讨其抗抑郁作用的潜在机制。方法:通过中药系统药理学数据库与分析平台(TCMSP)数据库搜集和筛选淫羊藿的活性成分;利用PharmMapper服务器,TCMSP数据库对蛋白靶点进行预测和筛选;利用OMIM数据库,CTD数据库和GeneCards数据库筛选抑郁症的相关靶点以及抗炎靶点;通过DAVID数据库对关键抗炎靶点进行基因本体(GO)功能富集和京都基因与基因组百科全书(KEGG)通路富集分析;利用Cytoscape 3.6.0软件构建淫羊藿"活性成分-作用靶点-信号通路"网络图,并对网络拓扑结构分析;采用GOLD分子对接软件对活性成分与关键抗炎靶点进行结果验证。结果:筛选得到淫羊藿与抑郁症相关的12个活性成分,30个作用靶点,5个关键抗炎靶点;GO功能富集得到生物过程65个,细胞组成4个,分子功能1个,KEGG通路富集分析得到41条,其中与炎症相关的信号通路9个;分子对接验证淫羊藿苷与关键抗炎靶点能够形成最佳复合体。结论:揭示了淫羊藿通过抗炎靶点及其相关信号通路网络作用于抑郁症的分子机制,为进一步研究淫羊藿抗抑郁作用提供了基础。Objective:To predict the anti-inflammatory targets and relevant signaling pathways of Epimedii Folium in the treatment of depression by network pharmacology,in order to explore the potential mechanism of its anti-depression effect.Method:The active constituents of Epimedii Folium were collected and screened out through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)database.PharmMapper server and TCMSP database were used to predict and screen out protein targets.OMIM database,CTD database and GeneCards database were used to screen out relevant targets and antiinflammatory targets of depression.Enrichment analysis of the gene ontology(GO)function and Kyoto Encyclopedia of genes and genomes(KEGG)signaling pathway for the key anti-inflammatory targets of Epimedii Folium were carried out by DAVID database.Cytoscape 3.6.0 was used to construct the network diagram of"active component-action target-signal pathway"of Epimedii Folium and analyze the topological structure of the network.GOLD molecular docking software was used to verify the results of active components and key anti-inflammatory targets.Result:A total of 12 active components,30 targets and 5 key antiinflammatory targets of Epimedii Folium were screened out,65 biological processes,4 cell components and 1 molecular function were enriched with GO function,and 41 KEGG pathways were enriched and analyzed,including 9 inflammation-related signaling pathways.Molecular docking verified that icariin and key antiinflammatory targets could form the optimal binding structure.Conclusion:The study preliminarily reveals the molecular mechanism of Epimedii Folium on depression through its anti-inflammatory target and its relevant signaling pathway network,so as to provide a basis for further study on the antidepressant effect of Epimedii Folium.

关 键 词：网络药理学 淫羊藿 抑郁症 抗炎作用 分子对接 

分 类 号：R285[医药卫生—中药学] R289[医药卫生—中医学]