基于网络药理学和分子对接探讨补肺健脾方治疗慢性阻塞性肺疾病的作用机制OA

Objective:To explore the mechanism of action of Lung-Supplementing and Spleen-Invigorating Decoction in the treatment of chronic obstructive pulmonary disease(COPD)based on network pharmacology and molecular docking.Methods:The active compo-nents of Chinese medicinals in Lung-Supplementing and Spleen-Invigorating Decoction were searched through the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP).The Swiss Target Prediction database was used to obtain the targets of the active components.COPD-related targets were searched in the GeneCards database.Venny 2.1.0 was used to identify the common targets between Lung-Supplementing and Spleen-Invigorating Decoction and COPD.The common targets were imported into the STRING database for protein-protein interaction(PPI)analysis,and Cytoscape3.9.0 was used for PPI network visualization and topol-ogical analysis to screen core targets.The core targets were imported into the DAVID database for Gene Ontology(GO)enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)signaling pathway enrichment analyses.Molecular docking of core targets and key components was performed using AutoDockTools 1.5.6.Results:A total of 523 active components and 727 related target genes of Lung-Supplementing and Spleen-Invigorating Decoction were obtained from the TCMSP database.A total of 2,645 target genes were retrieved from the GeneCards database.The component-related targets and disease targets were imported into Venny 2.1.0 online software to gen-erate a Venn diagram,yielding 328 common targets.The common targets were imported into STRING to construct a PPI network.Topolo-gical analysis identified 33 core targets,including interleukin-6(IL-6),protein kinase B1(PKB1,also known as AKT1),etc.GO en-richment analysis yielded 111 molecular functions,44 cellular components,and 382 biological processes.KEGG enrichment analysis i-dentified 144 signaling pathways.Molecular docking showed that the core targets bound well with the components.Conclusion:Lung-Supplementing and Spleen-Invigorating Decoction treats COPD through multi-component,multi-target and multi-pathway mechanisms,laying a theoretical basis for its application in COPD therapy.