基于网络药理学和分子对接探讨“金银花-连翘”治疗流行性感冒的作用机制

Study on the mechanism of “honeysuckle-forsythia” in the treatment of influenza based on network pharmacology and molecular docking

目的基于网络药理学及分子对接分析“金银花-连翘”治疗流行性感冒(简称流感)方面的药理机制,为此药对应用于临床提供依据。方法通过TCMSP数据库获取“金银花-连翘”的主要活性化学成分,查询相关靶点;通过OMIM、TTD、Gencards、GKB、Drug Bank数据库检索流感靶点,使用String平台,对相互作用的蛋白质进行分析。通过PPI网络的构建,在网络中找到主要的蛋白质功能模块。通过R语言运行Bioconductor数据包对“药物-成分-靶点”进行分析并富集相关生物过程及通路,结果可视化,用Cytoscape 3.8.0软件构建药对成分-疾病靶点网络。最后进行分析对接,使用软件AutoDock。结果“金银花-连翘”治疗流感的核心活性成分为芹黄素(apigenin)、槲皮素(quercetin)、乌索酸(ursolic acid)等。核心靶点有白细胞介素-6、白细胞介素-1β、RELA、MAPK14、JUN等。结论“金银花-连翘”药对通过对AGE-RAGE信号通路、白细胞介素-17信号通路等流感生物学通路作用以影响免疫细胞释放,阐述了该药对调治流感的作用机制,为临床应用提供依据和思路。

Objective To study the pharmacological mechanism of honeysuckle and forsythia for treatment of influenza based on network pharmacology and molecular docking analysis,and to provide evidence for its clinical application.Methods The main active chemical components of"honeysuckle-forsythia"were obtained from TCMSP database,and the relevant targets were queried.The influenza targets were retrieved through OMIM,Gencards,TTD,GKB and Drug Bank databases;the interacting proteins were analyzed on the String platform.The PPI network was constructed,and the main protein function modules were found in the network.Run Bioconductor data package in R language to analyze"drug-component-target"and enrich relevant biological processes and pathways.The results are visualized and then Cytoscape 3.8.0 software was used to build the drug pair component-disease target network.Finally,the analysis and docking were carried out,and the software AutoDock was used.Results The core active ingredients of honeysuckle-forsythia for treatment of influenza were apigenin,quercetin and ursolic acid.The core targets included IL-6,IL-1β,RELA,MAPK14,JUN,etc.Conclusion"Honeysuckle-forsythia"affects the release of immune cells by acting on influenza biological pathways such as AGE-RAGE signal pathway and IL-17 signal pathway.This paper expounds the acting mechanism of this drug pair in regulating and treating influenza and provides basis and ideas for clinical application.