首页|基于网络药理学与分子对接探讨玉屏风散治疗小儿变应性鼻炎作用机制

基于网络药理学与分子对接探讨玉屏风散治疗小儿变应性鼻炎作用机制

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目的 基于网络药理学及分子对接技术探讨玉屏风散治疗小儿变应性鼻炎(AR)的作用机制.方法 利用TCSMP筛选收集玉屏风散的活性成分及作用靶点;从GeneCards、OMIM、DrugBank数据库获得AR相关靶点,使用Venny2.1在线作图工具平台绘制韦恩图,得到玉屏风散与AR的交集靶点,上传至STRING数据库构建蛋白相互作用(PPI)网络;采用Metascape数据库进行GO功能及KEGG通路富集分析;利用Cytoscape3.10.1软件构建中药-活性成分-靶点网络,通过AutoDuck Vina 1.1.2软件进行分子对接,并使用PyMOL2.5软件绘制分子对接模式图.结果 获取玉屏风散治疗小儿AR潜在靶点83个,核心活性成分为槲皮素、山柰酚、汉黄芩素、β-谷甾醇,核心靶点为AKT1、JUN、TNF、IL6、MAPK8.玉屏风散治疗AR主要通过Toll样受体、IL17及AGE-RAGE等信号通路发挥抑制炎症反应、减轻黏膜炎症细胞浸润、调节免疫的作用.分子对接显示,核心靶点与核心活性成分具有良好的结合能力.结论 玉屏风散可能通过槲皮素、山柰酚等活性成分,发挥抑制炎症反应、减轻黏膜炎症细胞浸润的作用.
Analysis on Mechanism of Yupingfeng Power in the Treatment of Pediatric Allergic Rhinitis Based on Network Pharmacology and Molecular Docking Techniques
Objective To investigate the mechanism of Yupingfeng Power in the treatment of pediatric allergic rhinitis(AR)based on network pharmacology and molecular docking technology.Methods The active components and targets of Yupingfeng Power were screened and collected with the help of TCSMP.The relevant targets of AR were searched from the databases of GeneCards,OMIM and DrugBank.The Venny 2.1 online plotting tool plat-form was used to draw Venn diagrams,potential targets of Yupingfeng Powder for treating AR were identified,and were uploaded to the STRING database to construct a protein-protein interaction(PPI)network.The enrichment analysis of GO and KEGG pathways was carried out by Metascape;the network diagram of"drug-effective components-core target"was established by Cytoscape 3.10.1.Molecular docking was performed using AutoDuck Vina 1.1.2 software and molecular docking pattern diagrams were drawn using PyMOL 2.5 software.Results A total of 83 potential targets of Yupingfeng Powder were obtained for the treatment of pediatric AR,and the main active components were quercetin,kaempferol,baicalein,and β-sitosterol,and the key targets were AKT1,JUN,TNF,IL6,and MAPK8.There were many ways of action in the treatment of allergic rhinitis,mainly through the Toll-like receptor signaling pathway,IL17 signaling pathway and AGE-RAGE signaling pathway,which inhibited inflammatory response,reduces mucosal in-flammatory cell infiltration,and regulated immunity.Molecular docking showed that the key targets and core compo-nents of the screening had good binding ability.Conclusion Yupingfeng Power may exert inhibitory effects on inflamma-tory reactions and reduce mucosal inflammatory cell infiltration through active ingredients such as quercetin and kaempferol.

Yupingfeng Powerallergic rhinitisnetwork pharmacologymolecular docking

王璐、孙彦丽

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安徽中医药大学附属芜湖市中医医院,安徽 芜湖 241000

玉屏风散 变应性鼻炎 网络药理学 分子对接

2024

中国中医药图书情报杂志
中国中医科学院中医药信息研究所

中国中医药图书情报杂志

影响因子:0.556
ISSN:2095-5707
年,卷(期):2024.48(6)
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