首页|桑菊饮治疗呼吸道病毒感染作用机制的生物信息学探讨与免疫分析

桑菊饮治疗呼吸道病毒感染作用机制的生物信息学探讨与免疫分析

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通过生物信息学、网络药理学、免疫浸润分析及分子对接方法从分子层面探讨桑菊饮治疗呼吸道病毒感染的作用机制.通过TCMSP数据库获取桑菊饮所含化学成分及靶点.通过GEO数据库搜索并下载上呼吸道感染相关芯片并提取差异mRNA,整理矩阵后运用R语言CIBER-SORTx包进行免疫浸润分析;limma包分析得到关键差异mRNA作为疾病靶点,与药物靶点相互映射后得到治疗靶点;STRING 11.5数据库进行PPI分析,借助R语言clusterProfiler包进行GO和KEGG富集分析(p<0.05且qvalue<0.2);利用Cytoscape 3.8.1软件,构建相关网络图并通过cytoHubba筛选核心靶点;采用AutoDock Vina软件进行分子对接验证.筛选共得到桑菊饮中8味药共计169个活性成分及248个作用靶点,CIBERSORTx对22种免疫细胞进行了反卷积分析.PPI分析显示CXCL8、PPARγ、IL1β、MAPK14为关键靶点,GO分析及KEGG通路富集提示,桑菊饮的作用机制主要涉及对脂多糖的反应、巨噬细胞源性泡沫细胞分化、白细胞趋化性、MAPK活性的激活等生物过程,以及AGE-RAGE、Toll样受体、EB病毒感染、IL-17、HIF-1、甲型流感等信号通路.分子对接结果表明组方中主要活性成分与关键靶点具有较为稳定的结合活性.桑菊饮可能是通过柚皮素、木犀草素、槲皮素、花生四烯酸等活性成分作用于IL1β、MAPK14等靶点来改善细胞免疫状态、炎症反应及抗病毒感染等发挥作用,是多成分、多蛋白靶点、多通路过程.
Bioinformatics study and immune analysis on the mechanism of Sangju decoction in the treatment of respiratory virus infection
This study aims to explore the mechanism of Sangju decoction in the treatment of respiratory tract virus infection from the molecular level by means of bioinformatics,network pharmacology,immune infiltration analysis and molecular docking.The chemical constituents and targets of Sangju decoction were obtained by TCMSP data-base.The upper respiratory tract infection related chips were searched and downloaded through the geo database,and the differential mRNA was extracted.After sorting out the matrix,the immune infiltration analysis was performed using the R language cibersortx package.The key differential mRNA obtained by limma package analysis is used as the disease target,and the therapeutic target is obtained after mapping with the drug target.The string 11.5 database was used for PPI analysis,and the R language clusterprofiler package was used for go and KEGG enrichment analy-sis(p<0.05 and Qvalue<0.2).The relevant network diagram was built by using Cytoscape 3.8.1 software and the core targets by cytoHubba was screened;AutoDockVina software was used for molecular docking verification.A total of 169 active components and 248 action targets were obtained from 8 drugs in Sangju decoction.CIBERSORTx was used to analyze 22 kinds of immune cells.PPI analysis showed that CXCL8,PPARy,IL1β and MAPK14 were the key targets.GO analysis and enrichment of KEGG pathway suggested that the mechanism of Sangjudecoction was mainly involved in biological processes such as lipopolysaccharide response,macrophage-derived foam cell differen-tiation,leukocyte chemotaxis and activation of MAPK activity,as well as AGE-RAGE,Toll-like receptors,EBV in-fection,IL-17,HIF-1,influenza An and other signal pathways.The results of molecular docking showed that the main active components in the prescription had stable binding activity with key targets.Sangju decoction may play a role in improving cellular immune state,inflammatory reaction and anti-virus infection by acting on IL1β,MAPK14 and other active components such as naringin,luteolin,quercetin and arachidonic acid.It is a multi-component,multi-protein target and multi-pathway process.

respiratory virus infectionSangju decoctionimmune infiltration analysisbioinformaticsnetwork phar-macologymolecular docking

祁钰涵、马晓北

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中国中医科学院中医基础理论研究所,北京 100700

中国中医科学院研究生院,北京 100700

呼吸道病毒感染 桑菊饮 免疫浸润分析 生物信息学 网络药理学 分子对接

中国中医科学院院科技创新工程项目四川省中医药局重大项目

CI2021A001032020ZD006

2024

云南民族大学学报(自然科学版)
云南民族大学

云南民族大学学报(自然科学版)

CSTPCD
影响因子:0.381
ISSN:1672-8513
年,卷(期):2024.33(3)
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