摘要
目的:探寻银连解毒汤治疗COVID-19的潜在成分及作用机制。方法:以银连解毒汤组方药物中的入血成分或符合类药性参数的化合物作为研究对象,通过多个网络药理学数据平台对金银花、连翘、柴胡、黄芩、藿香、防风、薄荷、僵蚕、射干、桔梗、枳壳、浙贝母、芦根、炙百部、枇杷叶、陈皮、黄芪、党参、炒白术、生薏苡仁、丹参、川芎、诃子、甘草中符合要求的成分进行检索和预测。采用Perl语言命令在UniProt数据库中批量检索预测靶标的上游基因名称,将上述靶基因代入ClueGO软件进行GO功能富集分析,探究核心的代谢通路及信号通路,阐明银连解毒汤治疗COVID-19的作用机制。结果:化合物-靶点网络包含309个化合物和相应靶点1016个,关键靶点涉MMP1、FASN、MPO、MMP3、NQO1、MMP12、ALOX5、PTGS2、GCLM、MMP2、EGFR、GSTP1、MET、ACEⅡ等。GO功能富集分析得到GO条目238个(P<0.05),其中生物过程(BP)202个,细胞组成(CC)9个,分子功能(MF)27个。分子对接结果显示葛根素与COVID-19的亲和力最佳。结论:银连解毒汤中的葛根素能通过与血管紧张素转换酶Ⅱ(ACEⅡ)的直接作用,起到药效的作用。同时银连解毒汤所含多个成分通过作用于多个相关靶蛋白,在多条与呼吸系统疾病相关的通路中发挥调控作用。
Objective:To explore the potential components and mechanism of Yinlian jiedu decoction in the treatment of COVID-19.Methods:The blood components in the formula of Yinlian jiedu decoction or compounds conforming to drug-like parameters were selected as the research objects.The components that meet the requirements in Lonicerae Japonicae Flos,Forsythiae Fructus,Bupleuri Radix,Scutellariae Radix,aboveground part of Agastache rugosa,Saposhnikoviae Radix,Menthae Haplocalycis Herba,Bombyx Batryticatus,Belamcandae Rhizoma,Platycodonis Radix,Aurantii Fructus,Fritillariae Thunbergii Bulbus,Phragmitis Rhizoma,fried Stemonae Radix,Eriobotryae Folium,Citri Reticulatae Pericarpium,Astragali Radix,Codonopsis Radix,fried Atrictylodis Macrocephalac Rhizoma,Coicis Semen,Salviae Miltiorrhizae Radix et Rhizoma,Chuanxiong Rhizama,Chebulae Fructus,Glycyrrhizae Radix et Rhizoma were searched and predicted through multiple network pharmacological data platforms.The Perl command was used to batch retrieve the upstream gene name of the prediction target in the UniProt database.The target genes were brought into the ClueGO software for GO function enrichment analysis,to explore the core metabolic pathways and signal pathways and clarify the mechanism of the treatment of COVID-19 with Yinlian jiedu decoction.Results:The compounds-targets network consisted of 309 compounds and 1016 corresponding targets.The key targets involved MMP1,FASN,MPO,MMP3,NQO1,MMP12,ALOX5,PTGS2,GCLM,MMP2,EGFR,GSTP1,MET,ACEⅡ,etc.There were 238 GO items in GO functional enrichment analysis(P<0.05),including 202 biological processes(BP),9 cellular components(CC)and 27 molecular functions(MF).The results of molecular docking showed that puerarin had the best affinity with COVID-19.Conclusion:Puerarin in Yinlian jiedu decoction has a direct effect on ACEⅡ.At the same time,multiple components of Yinlian jiedu decoction play a regulatory role in multiple pathways related to respiratory diseases by acting on multiple related targets.
作者
蔡萧君
江柏华
李强
金冠男
王涛
CAI Xiao-jun;JIANG Bai-hua;LI Qiang;JIN Guan-nan;WANG Tao(Heilongjiang Academy of Traditional Chinese Medicine,Harbin 150036,China)
出处
《中药材》
CAS
北大核心
2021年第3期767-772,共6页
Journal of Chinese Medicinal Materials
作者简介
蔡萧君(1975-),男,博士,主任医师,研究方向:神经精神的基础研究及内分泌代谢病药物研究;通讯作者:江柏华,Tel:13946025999,E-mail:ssycxj@163.com。
