摘要
目的:从网络药理学角度探讨化湿败毒方治疗新型冠状病毒肺炎(COVID-19)的作用机制,为其临床治疗、新药开发提供参考。方法:在TCMSP数据库中筛选出化湿败毒方的药物有效活性成分,并提取其作用靶点,在GeneCards数据库检索COVID-19相关疾病靶点,将药物及疾病的共同靶点导入STRING数据库获取靶标蛋白互作网络关系,通过Cytoscape3.7.2软件构建PPI网络、"中药-潜在活性成分-潜在靶标-疾病"网络,并利用Cytoscape3.7.2软件、R软件及相应程序包进行GO功能富集分析及KEGG通路富集分析。同时进行分子对接验证。结果:检索得到269个药物活性成分和2629个药物靶标,其中药物疾病共同靶标49个,GO功能富集分析涉及对脂多糖的反应、氧化应激反应及γ-干扰素介导的信号通路调控等条目,KEGG通路富集分析涉及AGE-RAGE通路、TNF信号通路、NF-κB通路、RIG-I样受体信号通路等。分子对接结果表明槲皮素、木犀草素和山柰酚与COVID-19相关蛋白及作用靶点具有较强的结合活性,可能起到类似于抗病毒药物的治疗效果。结论:化湿败毒方含槲皮素、木犀草素和山柰酚等多种活性成分,可能通过作用于多个靶点、多种通路,从抗炎、抗病毒、抗氧化、调节免疫等方面治疗COVID-19。
Objective:To study the mechanism of Huashibaidu Decoction in the treatment of COVID-19 from the perspective of network pharmacology,and provide a reference for clinical treatment and the development of new drug.Methods:The active ingredients of Huashibaidu Decoction were screened out from the TCMSP database,and the targets of the active ingredients were screened.The disease targets of COVID-19 were obtained by GeneCards database.Then the common targets of drugs and diseases were imported into the STRING database to obtain the protein interaction information.The PPI network and"drug-potential ingredient-potential target-disease"network was constructed by Cytoscape3.7.2 software.GO functional enrichment analysis and KEGG pathway enrichment analysis were carried out by Cytoscape3.7.2 software,R software and its corresponding program package.At the same time,molecular docking verification was carried out.Results:269 active ingredients and 2629 drug targets were retrieved,including 49 common targets of drug and diseases.The GO functional enrichment analysis involved the response to lipopolysaccharide,the response to oxidative stress and regulation of interferon-gamma-mediated signaling pathway etc.KEGG pathway enrichment analysis involved the AGE-RAGE signaling pathway,TNF signaling pathway,NF-kappa B signaling pathway,RIG-I-like receptor signaling pathway etc.Molecular docking results showed that quercetin,luteolin and kaempferol had the strong binding activities with COVID-19 related proteins and targets,which might play a therapeutic effect similar to antiviral drugs.Conclusion:Huashibaidu Decoction has many components such as quercetin,luteolin and kaempferol,and it may possibly have the effect on COVID-19 by anti-inflammatory,antiviral,antioxidant and immune regulating effect through multiple targets and pathways.
作者
谢铱子
钟彩婷
纪树亮
黄宝仪
黄慧婷
詹少锋
刘小虹
Xie Yizi;Zhong Caiting;Ji Shuliang;Huang Baoyi;Huang Huiting;Zhan Shaofeng;Liu Xiaohong(The First Clinical College,Guangzhou University of Chinese Medicine,Guangzhou 510405;The First Affiliated Hospital,Guangzhou University of Chinese Medicine,Guangzhou 510405)
出处
《中药药理与临床》
CAS
CSCD
北大核心
2020年第3期28-35,共8页
Pharmacology and Clinics of Chinese Materia Medica
基金
国家自然科学基金面上项目(编号:81973814)
刘小虹广东省名中医传承工作室建设项目[粤中医办函(2018)5号]
广州中医药大学一流学科研究重点项目(编号:XK2018014)
B3-9国家临床医学研究中心建设项目(呼吸科)(编号:2110200309)
广州中医药大学学科提升计划:中医内科学肺病方向。
