基于网络药理学探讨火炭母对乙型肝炎的作用

Study on the Effect of Polygonum chinense L on Hepatitis B Based on Network Pharmacology

目的:本项研究是以系统生物学为理论基础的网络药理学的方法下进行分析,揭示了中药材火炭母治疗乙型肝炎的主要活性成分和作用机制,为乙肝的临床治疗以及药物的使用和新药的发现给予科学思路。方法:通过文献研究和TCMSP数据库的筛选,以及Swiss Target Prediction数据库的预测,可以有效地收集火炭母的化学成分,并基于Cytoscape 3.7.2构建出一个完整的药物成分-靶点网络,以更好地了解其作用机制;通过Genecards数据库,确定乙肝的潜在的靶点;通过Venny2.1平台获取火炭母治疗乙肝的共同靶点;通过应用String数据库平台,建立出可以代表药物火炭母与乙肝共同基因靶点的蛋白复杂的相互联系之间关系网络图,通过此关系网络图可以对这些靶点蛋白之间复杂关系进行更加深入的探索;利用Metascape平台的数据分析功能对GO基因进行数据分析,随后对基因组百科全书相关通路信息进行数据富集分析,深入探究其相关的通路。运用Cytoscape3.7.2构建火炭母治疗乙肝“靶点-通路”网络图。结果:查阅文献相关文献,获得火炭母化学成分,经过TCMSP筛选得到9个活性成分,导入Swiss Target Prediction平台获得307个相关靶点。检索数据库获得乙肝靶点6349个。二者取交集即为火炭母治疗乙肝靶点共247个,经PPI结果分析共筛选出核心靶点24个。通过基因分类富集分析,发现BP包括有5782条激素的反应、细胞对脂质的反应和蛋白质的磷酸化等,CC包括了514条脂筏、受体复合物以及膜微区,这些都是生物过程的重要组成部分,为深入研究这些过程提供了重要的线索。MF包含1125条蛋白激酶和磷酸转移酶,其功能主要是调节受体的形成和表达。KEGG(KEGG Pathway)通路分析共得到信号通路278条化学致癌-活性氧、PI3K-Akt信号通路等。结论:经本项研究发现,火炭母具有多成分,多靶点以及多通路的特征等,并且火炭母可以通过参与相关靶点与相关通路的调节,对乙肝起到一定的治疗作用。

Objective:This study is based on the network pharmacology method based on system biology theory.It reveals the main active ingredients and mechanism of action of the Chinese herbal medicine Polygonum chinense L in the treatment of hepatitis B,and provides scientific ideas for the clinical treatment of hepatitis B,the use of drugs and the discovery of new drugs.Methods:Through literature research,screening of TCMSP database,and prediction of Swiss Target Prediction database,the chemical components of Polygonum chinense L can be effectively collected,and a complete drug component-target network based on Cytascape 3.7.2 can be constructed to better understand its mechanism of action;Determine potential targets of hepatitis B through Genecards database;Obtain the common target of Polygonum chinense L for hepatitis B treatment through Venny2.1 platform;Through the application of String database platform,the complex relationship network diagram between proteins that can represent the common gene target of the drug Polygonum chinense L and hepatitis B can be established.Through this relationship network diagram,the complex relationship between these target proteins can be further explored;Use the data analysis function of the Metascape platform to analyze the GO gene data,and then conduct data enrichment analysis on the relevant pathway information of the genome encyclopedia to deeply explore its relevant pathway.Cytoscape 3.7.2 was used to construct the“target pathway”network diagram of Polygonum chinense L for hepatitis B treatment.Results:According to the relevant literature,the chemical components of Polygonum chinense L were obtained.After TCMSP screening,9 active components were obtained,and 307 relevant targets were obtained by introducing the Swiss Target Prediction platform.6349 hepatitis B targets were obtained by searching the database.The intersection of the two is a total of 247 targets for the treatment of hepatitis B with Polygonum chinense L,and a total of 24 core targets were screened through PPI results analysis.Through gene classification and enrichment analysis,BP includes 5782 hormone responses,cell responses to lipids,and protein phosphorylation.CC includes 514 lipid rafts,receptor complexes,and membrane micro-regions,which are important components of biological processes,providing important clues for further study of these processes.MF contains 1125 protein kinases and phosphotransferases,whose main function is to regulate the formation and expression of receptors.The KEGG(KEGG Pathway)pathway analysis obtained a total of 278 chemical carcinogensreactive oxygen species,PI3K-Akt signal pathways,etc.Conclusion:Through this study,it is found that Polygonum chinense L has the characteristics of multi-component,multi target and multi pathway,and can play a certain role in the treatment of hepatitis B by participating in the regulation of related targets and pathways.