中国医院用药评价与分析2024，Vol.24Issue(9)：1040-1045,6.DOI:10.14009/j.issn.1672-2124.2024.09.004
基于网络药理学和分子对接的复方一枝黄花喷雾剂治疗上呼吸道感染的作用机制研究
Mechanism of Fufang Yizhihuanghua Spray in the Treatment of Upper Respiratory Tract Infection Based on Network Pharmacology and Molecular Docking
摘要
Abstract
OBJECTIVE:To probe into the mechanism of Fufang Yizhihuanghua spray in the treatment of upper respiratory tract infection.METHODS:Components of Fufang Yizhihuanghua spray were selected by using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.The targets were predicted in Swiss Target Prediction database.Combined with the upper respiratory tract infection-related targets obtained from GeneCards and other databases,the intersection targets and active components were imported into Cytoscape 3.9.0 software to obtain the interaction network of component-potential target-disease.Protein-protein interaction(PPI)analysis of intersection targets was performed by using STRING database.Key targets were selected for gene ontology functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis.AutoDockTools 1.5.7 software was used to predict the binding activity of core components and core targets with high degree ranking.RESULTS:Totally 235 gene targets were obtained after the intersection of the relevant component targets and disease targets of FufangYizhihuanghua spray as potential targets for the treatment of upper respiratory tract infection.PPI and Topology analysis identified 95 key targets.KEGG enrichment analysis showed that the pathway was mainly concentrated in the PI3K-Akt signaling pathway.Molecular docking results showed that the core components such as quercetin and luteolin,can stably bind to the core targets such as PTGS2,Akt1,and CASP3.CONCLUSIONS:The results predicts and verifies the mechanism of Fufang Yizhihuanghua spray in the treatment of upper respiratory tract infection,and lays foundation for further research.关键词
复方一枝黄花喷雾剂/上呼吸道感染/网络药理学/分子对接Key words
Fufang Yizhihuanghua spray/Upper respiratory tract infection/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
吴颖,吴嘉瑞,高艺菲,陶晓宇,郭思宇,金政森,伍超,王郝嘉,周纪颖,翟弋焱..基于网络药理学和分子对接的复方一枝黄花喷雾剂治疗上呼吸道感染的作用机制研究[J].中国医院用药评价与分析,2024,24(9):1040-1045,6.基金项目
国家自然科学基金资助项目(No.82074284) （No.82074284）
国家中医药管理局高水平重点学科建设项目-临床中药学(No.zyyzdxk-2023257) （No.zyyzdxk-2023257）
北京中医药大学与企业联合项目(No.BUCM-2023-JS-FW-077) （No.BUCM-2023-JS-FW-077）
