Exploring mechanism of Hubei Pneumonia No.1 Formula in treatment of coronavirus disease 2019(COVID-19)based on bioinformatics study

LIANG Pengchen; ZHOU Ziyan; SUN Miaomiao; HUANG Jie; LU Yunfei; SHI Junfeng; CHANG Qing

doi:10.16305/j.1007-1334.2020.2003059

您当前的位置：

首页 >

文章列表页 >

Exploring mechanism of Hubei Pneumonia No.1 Formula in treatment of coronavirus disease 2019(COVID-19)based on bioinformatics study

更新时间：2022-08-31

- Exploring mechanism of Hubei Pneumonia No.1 Formula in treatment of coronavirus disease 2019(COVID-19)based on bioinformatics study
- Shanghai Journal of Traditional Chinese Medicine Vol. 54, Issue 9, Pages: 1-8(2020)
- 作者机构：
  
  1. 上海健康医学院附属嘉定区中心医院中心实验室,上海市全科医学教育与研究中心,上海,201800
  2. 上海中医药大学研究生院,上海,200120
  3. 上海交通大学医学院附属瑞金医院重症医学科,上海,200025
  4. 上海市公共卫生临床中心中西医结合科,上海,201058
  5. 上海交通大学医学院附属第九人民医院口腔医学院上海市口腔医学重点实验室,上海市口腔医学研究所,上海,200011
- 作者简介：
- 基金信息：
- DOI：10.16305/j.1007-1334.2020.2003059
  CLC：
扫描看全文
LIANG Pengchen, ZHOU Ziyan, SUN Miaomiao, et al. Exploring mechanism of Hubei Pneumonia No.1 Formula in treatment of coronavirus disease 2019(COVID-19)based on bioinformatics study. [J]. Shanghai Journal of Traditional Chinese Medicine 54(9):1-8(2020)
DOI：

LIANG Pengchen, ZHOU Ziyan, SUN Miaomiao, et al. Exploring mechanism of Hubei Pneumonia No.1 Formula in treatment of coronavirus disease 2019(COVID-19)based on bioinformatics study. [J]. Shanghai Journal of Traditional Chinese Medicine 54(9):1-8(2020) DOI： 10.16305/j.1007-1334.2020.2003059.

摘要

目的：利用生物信息学研究方法,探究筛选鄂版肺炎1号方治疗新型冠状病毒肺炎(COVID-19)的物质基础及其作用机制。方法：借助中药系统药理数据库平台(TCMSP)筛选鄂版肺炎1号方中的化学成分及其作用靶点,通过GEO数据库中SARS基因表达谱数据集,分析出SARS差异基因,通过Venny工具得到复方与SARS靶点的交集获得抗COVID-19可能的靶点,并利用R 3.6.1 clusterProfile对上述靶点对应基因进行GO生物学过程富集分析和 KEGG信号通路富集分析。利用与SARS-CoV-2 3CL水解酶(M,pro,)的分子对接加以验证。结果：在复方中筛选到108个潜在成分,其中核心成分34个,相关靶点涉及HSP90AA1、CASP8、FASLG、CYP19A1、MAPK14等。GO富集结果得到GO条目303个(P,<,0.05),其中分子功能(MF)21个,细胞组成(CC)12个,生物过程(BP)270个,分别占6.9%、4.0%、89.1%。KEGG富集分析得到61条通路(P,<,0.05),涉及TRP通道的炎性介质调节通路、T细胞受体信号通路、细胞凋亡通路、B细胞受体信号通路等。分子对接结果显示,粗毛甘草素F、光果甘草酮、千层纸素A、4′-羟基汉黄芩素、刺槐素和黄芩素等显示出较好的对接活性。结论：鄂版肺炎1号方参与了人体多条免疫和炎症通路,可能通过调节免疫及相关炎症因子治疗COVID-19,其中34个核心成分具有潜在的抗SARS-CoV-2作用。

Abstract

Objective:To investigate the mechanism of Hubei pneumonia No.1 formula in the treatment of coronavirus disease 2019(COVID-19). MethodsWith the Chinese Medicine System Pharmacology Database Platform(TCMSP),the chemical constituents and action targets of Hubei pneumonia No.1 formula were screened. Through the gene expression profiles of peripheral blood mononuclear cells from the SARS infected patient,the SARS differential genes were analyzed,and the intersection of corresponding target and the SARS target was obtained through the Venny tool,that is,the therapeutic target. And Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis and gene ontology(GO)functional enrichment analysis were performed by R 3.6.1 clusterProfile to predict the potential mechanism. Auto Dock Vina 1.1.2 was used for molecular docking to study the interactions of each chemical component with SARS-CoV-2 3CL hydrolase(M,pro,). Results:A total of 108 potential therapeutic components were screened,and a total of 34 core therapeutic components were screened. The therapeutic targets involved HSP90AA1,CASP8,FASLG,CYP19A1,MAPK14,etc.61 pathways were related to COVID-19(P,<,0.05)in KEGG pathways enrichment screening,including inflammatory mediator pathways of TRP channels,T cell receptor signaling pathways,apoptotic pathways,B cell receptor signaling pathways and so on. The results of molecular docking showed that glyasperin F,glabrene,oroxylin a,5,7,4′-trihydroxy-8-methoxyflavone,acacetin and baicalein had strong affinity with SARS-CoV-2 3CL hydrolase(M,pro,). Conclusion:Hubei pneumonia No.1 formula participates in many immune and inflammatory pathways,and may treat COVID-19 by balancing immunity and anti-inflammatory factors. Eight core therapeutic components may have potential anti-COVID-19 effects.

关键词

新型冠状病毒肺炎新型冠状病毒鄂版肺炎1号方网络药理学分子对接

Keywords

references

Views

295

下载量

CSCD

CNKI被引量

Alert me when the article has been cited

提交

Tools

Publicity Resources

Thinking on treating COVID-19 with six-meridian syndrome differentiation method

Application of the theory of “lung and intestine forming an exterior and interior relationship” to the treatment of severe COVID-19

Treating one elderly patient with severe COVID-19 from the angle of treating damp-warm disease

Related Author

No data

Related Institution

Traditional Chinese Medicine Department, First Affiliated Hospital of China Medical University

Department of Prevention and Health Care of Traditional Chinese Medicine, Longhua Hospital Affiliated to Shanghai University of Traditional Chinese Medicine

Innovation Centre,Shanghai University of Traditional Chinese Medicine

Department of Traditional Chinese Medicine,Central Hospital of Jing’an District Affiliated to Fudan University

Clinical College of Traditional Chinese Medicine, Hubei University of Traditional Chinese Medicine

⁰