水芹治疗新型冠状病毒肺炎的网络药理学预测和分析

Prediction and analysis of Oenanthe javanica in the treatment of coronavirus disease 2019 based on network pharmacology

目的运用网络药理学研究方法,预测和分析水芹防治新型冠状病毒肺炎(COVID-19)的可能性和机制。方法通过文献和TCMSP、Swiss Target Prediction数据库获得水芹中活性成分及其治疗COVID-19的潜在作用靶点;运用GeneCards、TTD、OMIM、Drugbank等数据库获得COVID-19相关靶点信息;采用Cytoscape构建“活性成分-靶点-疾病网络”;使用STRING数据库结合Cytoscape构建蛋白-蛋白相互作用(PPI)网络图;通过DAVID数据库和计算机R语言进行基因本体(GO)和京都基因与基因组百科全书(KEGG)富集分析。结果选取水芹中7个活性成分,获取活性成分-疾病靶点60个,关键靶点为TNF、IL-6、MARK-1、CASP3等,KEGG富集分析发现潜在信号通路有TNF、Toll样受体和PI3K-Akt等信号通路;GO富集分析发现生物过程涉及炎症反应、细胞凋亡、免疫应答等;分子功能涉及蛋白质结合、酶结合、细胞因子活性等,细胞组成涉及细胞质、质膜、细胞核、线粒体等。结论水芹活性成分可能通过TNF、Toll样受体信号通路影响病毒关键靶蛋白的表达,发挥抗感染、免疫调节、抗病毒等作用,本研究为水芹防治COVID-19的实验研究提供理论支持。

Objective To predict and analyze the possibility and the mechanism of Oenanthe javanica in the treatment of coronavirus disease 2019(COVID-19)by the method of network pharmacology.Methods The potential targets of Oenanthe javanica in therapy of COVID-19 were obtained through literatures,TCMSP and Swiss Target Prediction database.The relative targets of COVID-19 were acquired by the databases,such as GeneCards,TTD,OMIM and Drugbank.The“active components-targets-disease network”was established by Cytoscape.The network graph of protein-protein interaction(PPI)was set up by STRING database and Cytoscape.The gene ontology(GO)and the Kyoto encyclopedia of genes and genomes(KEGG)enrichment analysis were performed by DAVID database and R language.Results Sixty active components-disease targets were obtained from seven constituents of Oenanthe javanica.The key targets included TNF,IL-6,TPS3,MARK-1,CASP3,etc.KEGG pathway enrichment analysis revealed several signaling pathways,such as TNF,Toll-like receptor,PI3K-Akt signaling pathway,etc.GO function indicated that biological process mainly involved inflammatory response,apoptosis and immune response.Molecular function mainly involved protein binding,enzyme binding and cytokine activity.Cell compositions involved cytoplasm,plasma membrane,nucleus and mitochondrion.Conclusion Active components of Oenanthe javanica may affect expression of key proteins in virus through TNF,Toll-like receptor signaling pathway,and play an anti-infection,immunomodulatory,antiviral and other roles.This study provides theoretic evidence for further research of Oenanthe javanica in COVID-19 treatment.