Mechanism of Shenqi Bufei Decoction in the treatment of chronic obstructive pulmonary disease
Objective To explore the mechanism of Shenqi Bufei Decoction in the treatment of chronic obstructive pulmonary disease(COPD)based on network pharmacology and molecular docking technology.Methods The main active components and corresponding target proteins of the seven Chinese herbs included in Shenqi Bufei Decoction were screened by searching the Traditional Chinese Medicine System Pharmacology database and analysis platform and Bioinformatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine,and the proteins were converted into the corresponding gene symbols through the Uniprot database.Target genes of COPD were screened using the GeneCards database,Online Mendelian Inheritance in Man and DrugBank database.Related intersection genes were obtained through Venny online platform,and the visualization network of"Shenqi Bufei Decoction-ingredients-targets"was constructed by using Cytoscape3.9.0.The intersection targets were input into the String database for protein-protein interaction network analysis.Gene ontology(GO)enrichment and Kyoto encyclopedia of genes genomes(KEGG)pathway enrichment analysis were performed for target genes using DAVID database.Molecular docking was performed by adopting AutoDockTools software to verify the binding activity between active ingredients and target proteins.Results There were 217 active ingredients,455 target genes and 2 093 disease-related target genes in Shenqi Bufei Decoction,including 214 common target genes of Chinese herbs and diseases.Based on GO analysis,a total of 1 080 biological processes,112 cell components,and 183 molecular functions were obtained.Through KEGG analysis,177 signaling pathways were identified,respectively.The molecular docking results showed that the binding energy of the first 5 active components of Shenqi Bufei Decoction and the first 5 core targets were all ≤-6.0 kcal/mol,which showed a strong binding force.Conclusion Shenqi Bufei Decoction treats COPD through multiple active ingredients,multiple targets and multiple signaling pathways.The results provide a theoretical basis for further study of Shenqi Bufei Decoction in the treatment of COPD.
万方数据
维普
