基于网络药理学的咳速停糖浆治疗慢性支气管炎的作用机制研究  

Mechanism of Kesuting Syrup in the Treatment of Chronic Bronchitis Based on Network Pharmacology

作　　者：李嘉琪 苏雪纯 王雪 杨思昀 周纪颖 乔川琪 柴克燕 王郝嘉 赵彤[1] 吴嘉瑞[1] LI Jiaqi;SU Xuechun;WANG Xue;YANG Siyun;ZHOU Jiying;QIAO Chuanqi;CHAI Keyan;WANG Haojia;ZHAO Tong;WU Jiarui(School of Chinese Materia Medica,Beijing University of Chinese Medicine,Beijing 100029,China)

机构地区：[1]北京中医药大学中药学院,北京100029

出　　处：《中国医院用药评价与分析》2024年第8期923-928,共6页Evaluation and Analysis of Drug-use in Hospitals of China

基　　金：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);北京中医药大学与企业联合项目(No.BUCM-2023-JS-FW-077)。

摘　　要：目的:基于网络药理学方法和分子对接技术,探讨咳速停糖浆治疗慢性支气管炎的活性成分及其作用机制。方法:通过中药系统药理学数据库与分析平台、DrugBank、DisGeNet和GeneCards等数据库以及相关文献,获取咳速停糖浆中的活性成分和潜在靶点以及慢性支气管炎相关的疾病靶点。将成分靶点与疾病靶点取交集,导入STRING数据库中进行蛋白质-蛋白质相互作用(PPI)分析。利用Cytoscape软件构建药物-成分-靶点网络、药物-成分-关键靶点网络、PPI网络图及药物-成分-靶点-通路网络图。通过RStudio软件对交集靶点进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析。使用AutoDockTools软件对关键靶点和活性成分进行分子对接验证。结果:检索得到咳速停糖浆中9味药共75个活性成分,预测靶点579个,疾病靶点263个,得到慢性支气管炎的潜在交集靶点51个。GO富集分析过程涉及1 472个条目,包括1 292条生物过程、88条细胞组分和92条分子功能。KEGG富集分析得到流体剪切应力与动脉粥样硬化、环腺苷酸信号通路、钙离子信号通路、神经活性配体-受体相互作用和癌症通路等55条信号通路。分子对接结果显示,关键靶点与关键活性成分之间的结合能较低,对接效果较好。结论:本研究验证和预测了咳速停糖浆中的有效成分能通过作用于多个靶点、调控多条通路实现对慢性支气管炎的治疗,为其作用机制的研究与临床应用提供了思路。OBJECTIVE:To explore the active components and the mechanism of Kesuting syrup in the treatment of chronic bronchitis based on network pharmacology and molecular docking technology.METHODS:Active components and potential targets of Kesuting syrup as well as the disease targets related to chronic bronchitis were analyzed through Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,DrugBank,DisGeNet and GeneCards databases and relevant literature.Intersection of component targets and disease targets was imported into the STRING database to perform protein-protein interaction(PPI)analysis.Cytoscape software was used to construct drug-component-target network,drug-component-key target network,PPI network diagram and drug-component-target-pathway network diagram.Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis on intersecting targets were performed by RStudio software.Molecular docking verification on key targets and active components was performed by AutoDockTools software.RESULTS:A total of 75 active components in 9 flavors of herbs in Kesuting syrup,579 predicted targets,263 disease targets and 51 potential intersecting targets of chronic bronchitis were obtained through retrieval.The process of GO enrichment analysis involved 1472 items,including 1292 items of biological processes,88 items of cellular components,and 92 items of molecular functions.Totally 55 signaling pathways were obtained in KEGG enrichment analysis,including fluid shear stress and atherosclerosis,cyclic adenosine monophosphate signaling pathway,calcium ion signaling pathway,neuroactive ligand-receptor interactions and cancer pathway.The results of molecular docking showed that the binding energy between key targets and key active components was low and the docking effect was good.CONCLUSIONS:This study has verified and predicted that the active components in Kesuting syrup could achieve the treatment of chronic bronchitis by acting on multipl

关 键 词：咳速停糖浆 慢性支气管炎 网络药理学 分子对接 

分 类 号：R932[医药卫生—生药学] R96[医药卫生—药学]