基于网络药理学探究功劳木治疗严重蜂蜇伤的作用机制及分子对接研究  

Network pharmacology-based exploration of the mechanism and molecular docking of Mahoniae Caulis in the treatment of severe bee sting

作　　者：韦廷求 杨胜淋 肖俊新 廖华锋 蒋小方 WEI Tingqiu;YANG Shengin;XIAO Junxin;LIAO Huafeng;JIANG Xiaofang(Department of Critical Care Medicine,Liuzhou Traditional Chinese Medical Hospital,Guangxi,Liuzhou 545001,China;Department of Hematology,Guilin People’s Hospital,Guangxi,Guilin 541000,China;Department ofCritical Care Medicine,Guilin Municipal Hospital of Traditional Chinese Medicine,Guangxi,Guilin 541000,China)

机构地区：[1]广西壮族自治区柳州市中医医院重症医学科,广西柳州545001 [2]广西壮族自治区桂林市人民医院血液内科,广西桂林541000 [3]广西壮族自治区桂林市中医医院重症医学科,广西桂林541000

出　　处：《中国医药科学》2023年第5期41-44,共4页China Medicine And Pharmacy

基　　金：广西壮族自治区卫生健康委员会科研课题(Z20200799)。

摘　　要：目的 基于网络药理学及分子对接技术预测功劳木治疗严重蜂蜇伤的潜在靶点,并探究其可能的作用机制。方法 通过化学专业数据库获得功劳木的有效成分。利用中药分子机制的生物信息学分析工具(BATMAN-TCM)、SwissTargetPrediction、PubMed数据库获得功劳木有效成分的靶点并与GeneCards数据库获得的蜂蜇伤相关靶点取交集,通过String数据库对交集靶点构建蛋白相互作用(PPI)分析网络。利用Cytoscape软件及其MCODE聚类插件获得核心靶点。通过分子对接技术验证预测结果。结果 分析后获得4个核心成分和8个核心靶点,并进行分子对接,结果表明有较强的结合能力。涉及5-羟色胺能突触通路、花生四烯酸代谢通路、TRP通道的炎症介质调节等通路。结论 功劳木治疗严重蜂蜇伤的作用机制可能主要与5-羟色胺能突触通路、花生四烯酸代谢通路、TRP通道的炎症介质通路等有关。Objective To predict the potential target of Mahoniae Caulis in the treatment of severe bee stings based on network pharmacology and molecular docking technology and explore its possible mechanism.Methods The active components of Mahoniae Caulis were obtained from the chemical database.The bioinformatics analysis tool for molecular mechanism of traditional Chinese medicine(BATMAN-TCM),SwissTargetPrediction,and PubMed databases were used to obtain the targets of the active components of Mahoniae Caulis which then were intersected with the bee sting-related targets obtained by GeneCards database.The protein-protein interaction(PPI)analysis network was constructed on the intersected targets through String database.The core targets were obtained using Cytoscape software and its MCODE clustering plug-in.The predicted results were verified by molecular docking technique.Results Four core components and eight core targets were obtained after analysis,and the molecular docking results showed that they had strong binding capacity,involving such pathways as 5-hydroxytryptamine synapses,arachidonic acid metabolism,and inflammatory mediator regulation of TRP channels.Conclusion The mechanism of Mahoniae Caulis in the treatment of severe bee stings may be mainly related to such pathways as 5-hydroxytryptamine synapses,arachidonic acid metabolism and inflammatory mediator regulation of TRP channels.

关 键 词：功劳木 蜂蜇伤 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]