A study of mechanism of treating acute exacerbation of chronic obstructive pulmonary disease complicated with acute respiratory failure with the Jianpi Yifei granules based on network pharmacology and molecular docking
Objective:Aiming to provide direction and evidence for subsequent animal experiments and clinical trials,network pharmacology was used to probe the underlying mechanism of the Jianpi Yifei granules(健脾益肺颗粒)in the treatment of acute exacerbation of chronic obstructive pulmonary disease(AECOPD)complicated with acute respiratory failure(ARF),and molecular docking was carried out for preliminary validation.Methods:By TCMSP,SwissADME,PharmMapper databases,we collected the active ingredients of the Jianpi Yifei granules to predict the potential targets.The AECOPD and ARF-related disease targets were identified through GeneCards,DisGeNet,OMIM,DrugBank and NCBI databases,and intersected with the drug targets.The traditional Chinese medicine-active component-target network and the protein-protein interaction network were constructed by STRING database and Cytoscape 3.8.2 software.R software was adopted for GO and KEGG enrichment analyses of the drug and disease intersecting targets.Molecular docking was used to validate the binding activity between the core active ingredients and the key target proteins.Results:A total of 111 active ingredients and 119 potential targets were screened in the Jianpi Yifei granules,and there were 32 intersecting targets of the Jianpi Yifei granules and AECOPD complicated with ARF.After further filtering and analysis,the core active ingredients(poricoic acid A,poricoic acid B,and sanggenone B),the key targets(ALB,EGFR,SRC,CASP3,KDR),and the main involving signaling pathways(VEGF signaling pathway,ErbB signaling pathway,GnRH signaling pathway)were selected.The high binding activity between the core active ingredients and the key target proteins was confirmed by molecular docking.Conclusion:The Jianpi Yifei granules may play an adjuvant anti-inflammatory and anti-angiogenic role in the treatment of AECOPD combined with ARF through a multi-component,multi-target means.
The Jianpi Yifei granulesAcute exacerbation of chronic obstructive pulmonary diseaseAcute respiratory failureNetwork pharmacologyMolecular docking
万方数据
维普
