Objective. To explore the mechanism of action of Bu-Fei-Yi-Shen formula (BFYSF) in treating chronic obstructive pulmonary disease (COPD) based on network pharmacology analysis and molecular docking validation. Methods. First of all, the pharmacologically active ingredients and corresponding targets in BFYSF were mined by the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database, the analysis platform, and literature review. Subsequently, the COPD-related targets (including the pathogenic targets and known therapeutic targets) were identified through the TTD, CTD, DisGeNet, and GeneCards databases. Thereafter, Cytoscape was employed to construct the candidate component-target network of BFYSF in the treatment of COPD. Moreover, the cytoHubba plug-in was utilized to calculate the topological parameters of nodes in the network; then, the core components and core targets of BFYSF in the treatment of COPD were extracted according to the degree value (greater than or equal to the median degree values for all nodes in the network) to construct the core network. Further, the Autodock vina software was adopted for molecular docking study on the core active ingredients and core targets, so as to verify the above-mentioned network pharmacology analysis results. Finally, the Omicshare database was applied in enrichment analysis of the biological functions of core targets and the involved signaling pathways. Results. In the core component-target network of BFYSF in treating COPD, there were 30 active ingredients and 37 core targets. Enrichment analysis suggested that these 37 core targets were mainly involved in the regulation of biological functions, such as response to biological and chemical stimuli, multiple cellular life processes, immunity, and metabolism. Besides, multiple pathways, including IL-17, Toll-like receptor (TLR), TNF, and HIF-1, played certain roles in the effect of BFYSF on treating COPD. Conclusion. BFYSF can treat COPD through the multicomponent, multitarget, and multipathway synergistic network, which provides basic data for intensively exploring the mechanism of action of BFYSF in treating COPD.

中文翻译：

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基于网络药理分析和分子对接验证的补肺益肾方治疗慢性阻塞性肺疾病的作用机制

客观。基于网络药理学分析和分子对接验证，探讨补肺益肾方（BFYSF）治疗慢性阻塞性肺疾病（COPD）的作用机制。方法. 首先，通过中药系统药理学（TCMSP）数据库、分析平台和文献综述，挖掘出BFYSF中的药理活性成分及相应靶点。随后，通过 TTD、CTD、DisGeNet 和 GeneCards 数据库确定了 COPD 相关靶点（包括致病靶点和已知治疗靶点）。此后，利用Cytoscape构建了BFYSF治疗COPD的候选成分-靶标网络。此外，利用cytoHubba插件计算网络中节点的拓扑参数；然后，根据度值（大于或等于网络中所有节点的度值中值）提取BFYSF治疗COPD的核心成分和核心目标，构建核心网络。进一步采用Autodock vina软件对核心活性成分和核心靶点进行分子对接研究，验证上述网络药理学分析结果。最后，将Omicshare数据库应用于核心靶点的生物学功能和相关信号通路的富集分析。结果。在BFYSF治疗COPD的核心成分-靶点网络中，有30个活性成分和37个核心靶点。富集分析表明，这37个核心靶点主要参与生物功能的调节，如对生物和化学刺激的反应、多细胞生命过程、免疫和代谢。此外，IL-17、Toll样受体（TLR）、TNF和HIF-1等多种途径在BFYSF治疗COPD的作用中发挥了一定的作用。结论。BFYSF通过多组分、多靶点、多通路协同网络治疗COPD，为深入探索BFYSF治疗COPD的作用机制提供了基础数据。