Discussion on the mechanism of the Juanxiao decoction in treating asthma based on network pharmacology
Objective:Exploring prevention and treatment effects of the Juanxiao decoction(蠲哮汤)on asthma and underlying molecular mechanisms by network pharmacology.Methods:The effective chemical ingredients and relevant targets of drugs in the Juanxiao decoction were retrieved in the TCMSP.The Swiss Target Prediction database and PubChem database were used to collect the name of targets of potential active ingredients.The targets related to asthma were obtained from GeneCards and OMIM,and common targets were obtained by intersection analysis from Venny 2.1.0.The single medicine-active components-targets network was constructed by the software of Cytoscape 3.9.0.The PPI network was constructed by STRING data platform,and the topological analysis was performed by Cytoscape 3.9.0 to obtain the core targets.Furthermore,DAVID database was used to enrich and analyze the GO and KEGG pathways of the selected targets.Molecular docking validation of active ingredients and core targets was performed by molecular docking technology.Results:A total of 60 potential active ingredients of the Juanxiao decoction were obtained by screening TCMSP database.A total of 110 targets of potential active ingredients and 1432 targets related to asthma were screened out.And 36 targets of the Juanxiao decoction for treating asthma were obtained by intersecting which corresponds to 23 active ingredients of the Juanxiao decoction,mainly including quercetin,kaempferol,rutin and naringenin.Topology analysis of the common targets yielded 36 nodes and 144 edges,and AKT1,EGFR,SRC,PPARG could be the key targets.Finally,160 GO terms of the Juanxiao decoction on asthma(including 115 biological processes,31 molecular functions and 14 cell components)were gained.And 51 pathways were identified by KEGG analysis,indicating that the Juanxiao decoction mainly played a role in treating asthma by regulating proteoglycans in cancer,estrogen signaling pathway,PI3K-Akt signaling pathway and VEGF signaling pathway.The results of macromolecular docking showed that key components had good binding activity to core protein targets,which proved the reliability of network pharmacology prediction results.Conclusion:The study predicts for the first time that the mechanism of the Juanxiao decoction may be multi-component,multi-target,multi-pathway in treating asthma.PPI Network analysis,GO analysis,KEGG enrichment analysis and macromolecular docking verification found that the Juanxiao decoction may act on AKT1,EGFR,PPARG,SRC through quercetin,kaempferol,β-sitosterol,naringenin,hesperidin,rutin,and so on to block the proteoglycan pathway in cancer,estrogen pathway,PI3K-Akt and EGFR pathway to induce the smooth muscle cell proliferation,cell growth and differentiation,mucus secretion and other physiological processes,thereby inhibiting extracellular matrix deposition,angiogenesis and VEGF,so as to reduce airway inflammation and airway remodeling in asthma.It also provides a theoretical basis for further research on the mechanism of the Juanxiao decoction in the treatment of asthma airway remodeling.
The Juanxiao decoctionAsthmaNetwork pharmacologyMechanism
万方数据
维普
