Discussion on the Mechanism of Qiaoqin Qingfei Decoction in Treating Chronic Obstructive Pulmonary Disease Based on Network Pharmacology and Molecular Docking
Objective To investigate the mechanism of Qiaoqin Qingfei Decoction in treaing chronic obstructive pulmonary disease(COPD)based on network pharmacology and molecular docking technique.Methods The active components of Qiaoqin Qingfei Decoction and its potential targets for the treatment of COPD were obtained with the help of TCMSP database,Genecard database,OMIM database and PharmGKB database.Cytoscape 3.9.1 software was used to construct the network diagram of"drugs-active components-potential targets-diseases",and protein-protein interaction(PPI)was constructed on the STRING platform.Key targets in the action maps were identified by the MCC algorithm in Cytoscape 3.9.1 software.GO function,KEGG pathway enrichment analysis were performed by DAVID platform.Finally,Autodock Vina software was used for molecular docking of important targets and active components.Results There were 167 potential targets of Qiaoqin Qingfei Decoction in the treatment of COPD,and the important active components were quercetin and luteolin.The key genes in the PPI network were AKT1,TP53,STAT3,JUN,TNF,MAPK3,etc.GO functional biological process enrichment involved the response to estradiol,the response to lipopolysaccharide,and the response to ethanol;KEGG pathway enrichment analysis screened 173 pathways,mainly enriched in PI3K-Akt signaling pathway,IL-17 signaling pathway,and cancer pathway.Molecular docking verified that its important targets MAPK3,EGFR,and IL6 had certain binding ability to the active components quercetin and luteolin.Conclusion The mechanism of Qiaoqin Qingfei Decoction in treating COPD is mainly related to anti-inflammation,improving airway remodeling and anti-pulmonary fibrosis,and plays a role through multiple targets and multiple pathways.
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