基于网络药理学研究喜炎平治疗急性支气管炎的作用机制  

To Study the Mechanism of Xiyanping in Treating Acute Bronchitis Based on Network Pharmacology

作　　者：饶振华 沈冬梅[1] 毛娉婷 RAO Zhenhua;SHEN Dongmei;MAO Pingting(Jiujiang First People's Hospital,Jiujiang Jiangxi 332000,China)

机构地区：[1]九江市第一人民医院,江西九江332000

出　　处：《药品评价》2024年第2期165-168,共4页Drug Evaluation

基　　金：江西省卫生健康委科技计划项目(202211869)。

摘　　要：目的 使用网络药理学与分子对接研究喜炎平注射液治疗急性支气管炎的作用机制。方法 通过文献资料与中药系统药理数据库与分析平台(TCMSP)数据库筛选喜炎平注射液的活性成分,并结合SwissTargetPrediction预测其靶点。应用DrugBank、GeneCards和OMIM数据库筛选急性支气管炎相关靶点,合并活性成分与急性支气管炎靶点取其交集,利用String数据库构建蛋白-蛋白相互作用网络(PPI),使用Cytoscape 3.7.2软件将PPI图可视化。通过Metascape数据库对药物-疾病靶点进行GO和KEGG富集分析预测作用机制,并通过AutoDockTools平台进行分子对接验证。结果 喜炎平6个成分与急性支气管炎共34个靶点交集。作用机制涉及人T细胞白血病病毒感染、癌症通路、乙型肝炎、卡波西肉瘤相关疱疹病毒感染、EB病毒感染、人巨细胞病毒感染等。分子对接显示喜炎平治疗支气管炎的关键化合物17-氢-9-去氢穿心莲内酯-19-硫酸酯钠、17-氢-9-去氢穿心莲内酯、14-去氧-11-氧代穿心莲内酯、14-去氧-12-甲氧基穿心莲内酯、14-去氧穿心莲内酯和穿心莲内酯分别与IL6、EGFR、CXCL8、ICAM1、MMP9、MAPK8、MAPK14和ITGB2等靶点结合良好。结论 通过网络药理学与分子对接研究表明喜炎平可能通过抗病毒、调控IL-17信号通路、TNF信号通路发挥对急性支气管炎的治疗作用。Objective To study the mechanism of xiyanping injection in treating acute bronchitis by using network pharmacology and molecular docking.Methods Screening the active ingredients of xiyanping injection through literature and TCMSP database,and predicting its target by SwissTargetPrediction.To screen acute bronchitis related targets by using DrugBank,GeneCards,and OMIM databases,and merging active ingredients and acute bronchitis targets to obtain their intersections,constructing a protein-protein in teraction network(PPI)by using a String database,and visualizing the PPI map by using Cytoscape 3.7.2 software.GO and KEGG enrichment analysis were conducted on drug-disease targets through the Metascape database to predict the mechanism of action,and molecular docking validation was conducted through the AutoDockTools platform.Results Six components of xiyanping intersect with a total of 34 targets in acute bronchitis.The mechanism involves human T-cell leukemia virus infection,cancer pathway,hepatitis B,kaposi sarcoma associated herpes virus infection,EB virus infection,human cytomegalovirus infection,etc.Molecular docking shows that the key compounds of xiyanping in the treatment of bronchitis,including 17-hydrogen-9-dehydroandrographolide-19 sodium sulfate,17-hydrogen-9-dehydroandrographolide,14-deoxy-11-oxoandrographolide,14-deoxy-12-methoxyandrographolide,14-deoxyandrographolide,and andrographolide,bind well to targets such as IL6,EGFR,CXCL8,ICAM1,MMP9,MAPK8,MAPK14,and ITGB2.Conclusion Through network pharmacology and molecular docking,it’s suggested that xiyanping may exert its therapeutic effect on acute bronchitis through antiviral therapy,regulation of IL-17 signaling pathway,and TNF signaling pathway.

关 键 词：喜炎平注射液 急性支气管炎 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]