Study on the mechanism of Bashu Granule in treating airway inflammation
This study aims to research the drug target and mechanism of Bashu granule on airway inflammation by network pharmacology,molecular docking simulation,cellular inflammation model.The composition and targets of the herbal of Bashu granule and the airway inflammation related targets were collected through the databases such as TCMSP and GeneCard.Enrichment analysis was used to analyze the biological physiological process and pathway of the related targets.PyMOL software was used to perform molecular docking between the screened potential active ingredients and the core protein target.The lipopolysaccharide(LPS)-induced macrophage inflammation model was established,and the effects of Bashu granule and different active ingredients on the expression of iNOS and p65 proteins were detected by Western-blot.The results of network pharmacology showed that there were 8 pharmaco-dynamic components and 9 action targets of Bashu granule for the treatment of airway inflammation.1 368 physio-logical processes were obtained from GO enrichment analysis.134 related signaling pathways were obtained from KEGG enrichment.Protein molecular simulation docking showed that quercetin,kaempferol and luteolin had the lowest binding energy with AKT1 and MAPKs,which were the optimal binding sites.The results of cell experiments showed that the expression of iNOS protein in Bashu granule group was significantly lower than that in LPS group,and the phosphorylation of p65 protein was significantly inhibited.The predicted potential active ingredients could also reduce expression of iNOS to varying degrees.Bashu granules may exert therapeutic effects on airway inflamma-tion through the regulation of iNOS,p65 and other proteins by components such as quercetin,kaempferol and lute-olin.
万方数据
维普
