摘要
目的从分子层面探讨预防肺疾一号方预防新型冠状病毒肺炎的作用机制,并探索预防肺疾一号方的潜在治疗靶点。方法利用TCMSP数据库及BATMAN-TCM数据库筛选预防肺疾一号方的化合物成分,在PharmMapper数据库进行潜在靶点识别,然后使用David软件对靶点进行GO富集及KEGG通路富集分析,利用iGEMDOCK软件进行分子对接分析。结果通过网络药理学方法分析预防肺疾一号方的6味中药,发现其有效化学成分有58个,对应47个作用靶点;通过GO分析靶点富集出81个生物学过程、26个细胞组成及31个分子功能;通过KEGG分析得出靶点显著富集的信号通路有35条;分子对接分析得出,靶点CAT和化合物Daidzein-4,7-diglucoside的结合度最高。结论预防肺疾一号方具有多成分、多靶点的作用特点,并通过参与多种生物过程,调控多条信号通路以预防新型冠状病毒肺炎并发挥其药理疗效。
Objective To explore novel coronavirus pneumonia(COVID-19)prevention mechanisms by Prevention of Lung Disease No.1 Formula from the molecular level,and explore the potential therapeutic targets for Prevention of Lung Disease No.1 Formula.Methods TCMSP database and BATMAN-tcm database were used for screening the compounds of Prevention of Lung Disease No.1 Formula,and then the compounds were uploaded to pharmapper database for potential target prediction.Then,David software was used for enriching the target with GO and KEGG pathway enrichment analysis,and i GEMDOCK software was used for molecular docking analysis.Results Through the analysis of network pharmacology,we found that there were 6 Chinese herbal medicines in Prevention of Lung Disease No.1 Formula,inclduing 58 effective chemical components,corresponding to 47 targets;81 biological processes,26 cell components and 31 molecular functions were enriched by GO analysis;35 signal pathways were enriched by KEGG analysis;The binding degree of CAT and Daidzein-4,7-diglucoside were the highest after molecular docking.Conclusion Prevention of Lung Disease No.1 Formula has the characteristics of multi components and multiple targets,and it can regulate multiple signaling pathways to prevent the new coronavirus pneumonia and play its pharmacological effects through participating in various biological processes.
作者
雷卓异
范晓茜
Lei Zhuoyi;Fan Xiaoxi(Liuzhou Hospital of Traditional Chinese Medicine,Liuzhou 545001,China)
出处
《世界科学技术-中医药现代化》
CSCD
北大核心
2021年第10期3541-3550,共10页
Modernization of Traditional Chinese Medicine and Materia Medica-World Science and Technology
关键词
网络药理学
生物信息学
分子对接
预防肺疾一号方
新型冠状病毒肺炎
Network pharmacology
Bioinformatics
Molecular docking
Prevention of Lung Disease No.1 Formula
Novel coronavirus pneumonia
