中国医院用药评价与分析2025，Vol.25Issue(3)：261-265,273,6.DOI:10.14009/j.issn.1672-2124.2025.03.002
基于网络药理学和分子对接的百蕊颗粒治疗呼吸系统疾病的作用机制研究
Mechanism of Bairui Granules in the Treatment of Respiratory Diseases Based on Network Pharmacology and Molecular Docking
摘要
Abstract
OBJECTIVE:To probe into the mechanism of action of Bairui granules in the treatment of respiratory diseases(upper respiratory tract infection,bronchitis,and pneumonia)based on network pharmacology and molecular docking technology.METHODS:HERB,BATMAN-TCM and chemistry professional database,VIP,CNKI and other databases were used to screen the compound components,and the compound targets were predicted by Swiss Target Prediction.The disease-related targets of upper respiratory tract infection,bronchitis and pneumonia were screened by GeneCards,DisGeNET,OMIM and other databases.The intersection targets of drugs and t diseases were imported into the STRING database,and then the protein-protein interaction network diagram,drug component target network diagram and drug-component-target-pathway network diagram were drawn by Cytoscape software.The functional enrichment analysis of gene ontology and the enrichment analysis of Kyoto gene and genome encyclopedia pathway were carried out by R software.AutoDock software was used to verify the molecular docking.RESULTS:A total of 16 compounds,274 compound-related targets were included,and the core targets involved epidermal growth factor receptor,casPASE 3,tumor necrosis factor,matrix metalloproteinase 9,protein kinase B1,PTGS2,and SRC.The molecular docking results showed that the core target had low binding energy and good affinity with key compound molecules.CONCLUSIONS:The results of the study verify and predict the mechanism of action of Bairui granules in the treatment of upper respiratory tract infection,bronchitis and pneumonia,and lay a good foundation for further revealing its mechanism of action.关键词
百蕊颗粒/上呼吸道感染/支气管炎/肺炎/网络药理学/分子对接Key words
Bairui granules/Upper respiratory tract infections/Bronchitis/Pneumonia/Network pharmacology/Molecular docking分类
药学引用本文复制引用
乔川琪,王郝嘉,周纪颖,杨思昀,李嘉琪,柴克燕,刘書麒,赵彤,吴嘉瑞..基于网络药理学和分子对接的百蕊颗粒治疗呼吸系统疾病的作用机制研究[J].中国医院用药评价与分析,2025,25(3):261-265,273,6.基金项目
国家自然科学基金资助项目(No.82074284) （No.82074284）
国家中医药传承创新团队子项目(No.ZYYCXTD-C-202005-10) （No.ZYYCXTD-C-202005-10）
北京中医药大学与企业联合项目(No.BUCM-2023-JS-FW-067) （No.BUCM-2023-JS-FW-067）
