[关键词]
[摘要]
目的 分析金荞麦胶囊治疗慢性支气管炎的潜在作用机制,为其临床应用与后续研究提供理论支撑。方法 通过TCMSP、HERB、SwissADME数据库筛选金荞麦胶囊的主要活性成分及对应作用靶点,同时利用GeneCards、TTD数据库检索慢性支气管炎的疾病相关靶点,取两类靶点的交集获得共同靶点。运用STRING平台构建蛋白相互作用(PPI)网络,结合Cytoscape软件筛选核心靶点;借助David数据库完成基因本体论(GO)功能注释与京都基因和基因组百科全书(KEGG)通路富集分析,可视化分析结果,通过AutoDock Vina软件开展分子对接验证。结果 筛选出金荞麦胶囊中木犀草素、儿茶素、槲皮素、异鼠李素等10个潜在活性成分,334个靶点;慢性支气管炎靶点842个,交集靶点117个;PPI网络分析显示,肿瘤坏死因子(TNF)、白细胞介素-6(IL6)、白细胞介素-1β(IL-1β)、核因子κB1(NFκB1)、白蛋白(ALB)等为核心靶点。GO富集分析得到2 660个条目,包括生物过程2 440个、细胞组分66个和分析功能154个;KEGG富集分析提示177个包括炎症、感染在内的相关通路;分子对接结果显示核心成分与关键靶点之间具有良好的结合活性。结论 金荞麦胶囊可能通过多成分、多靶点、多通路协同作用,调控炎症反应、免疫调节及氧化应激等过程,从而发挥治疗慢性支气管炎的功效,为后续实验验证及临床合理用药提供科学依据。
[Key word]
[Abstract]
Objective To elucidate the potential mechanisms underlying the therapeutic efficacy of Jinqiaomai Capsules in treatment of chronic bronchitis, thereby providing a theoretical basis for their clinical application and future research. Methods The principal bioactive constituents of Jinqiaomai Capsules and corresponding targets were screened using the TCMSP, HERB, and SwissADME databases. Disease-related targets of chronic bronchitis were retrieved from the GeneCards and TTD databases. The intersection of these two sets of targets was obtained as common targets. A PPI network was constructed using the STRING platform, and core targets were futher screened with Cytoscape software. GO functional annotation and KEGG pathway enrichment analyses were performed using the David database, followed by visualization of the results. Molecular docking validation was conducted using AutoDock Vina software. Results Ten potential bioactive compounds of Jinqiaomai Capsules, including luteolin, catechin, quercetin and isorhamnetin, were identified, corresponding to 334 targets. A total of 842 targets for chronic bronchitis were retrieved, yielding 117 overlapping targets. PPI network analysis revealed that TNF, IL-6, IL-1β, NFκB1, and ALB were core targets. GO enrichment analysis yielded 2 660 entries, comprising 2 440 biological processes, 66 cellular components, and 154 molecular functions. KEGG enrichment analysis suggested 177 relevant pathways, including those related to inflammation and infection. Molecular docking results demonstrated favorable binding affinity between the core components and key targets. Conclusion Jinqiaomai Capsules may exert their therapeutic effects on chronic bronchitis through the synergistic action of multiple components, targets and pathways, thereby regulating processes such as inflammatory response, immune modulation and oxidative stress. This study provides a scientific basis for subsequent experimental validation and rational clinical use.
[中图分类号]
R285;R286.4
[基金项目]
统筹推进世界一流大学和一流学科建设专项资金资助项目(YD9110002099)