An analysis of the mechanism of treating airway mucus hypersecretion with the Linggui Zhugan decoction based on network pharmacology and molecular docking
Objective:To explore the mechanism of the Linggui Zhugan decoction(苓 桂 术 甘 汤)in treating airway mucus hypersecretion based on network pharmacology-molecular docking.Methods:The TCMSP database was used to obtain the active components and potential targets.Disease targets were retrieved from GeneCards and OMIM databases.The intersection of component targets and disease targets was obtained by Venny 2.1.The drug-component-target-disease network diagram was constructed with Cytoscape 3.7.2.The protein-protein interaction networks of the intersection targets was established with STRING database.David database was used for GO and KEGG analyses.AutoDockTools 4.2.6 and PyMOL 2.4.0 software were used for molecular docking.Results:A total of 120 active components,494 disease targets,and 75 intersection targets were screened.The main active components included quercetin,kaempferol,glabrone,formononetin,naringenin and so on.The key targets involved PTGS2,ESR1,PPARG,MAPK14,KDR.KEGG pathway enrichment analysis identified 156 signaling pathways,including pathways in cancer,lipid and atherosclerosis,AGE-RAGE in diabetic complications signaling pathway,chemical carcinogenesis-receptor activation,kaposi sarcoma-associated herpesvirus infection.The results of molecular docking showed that the active ingredients had good binding ability with the core targets.Conclusion:The Linggui Zhugan decoction has multiple components,multiple targets and multiple pathways to treat airway mucus hypersecretion.
NETL
NSTL
万方数据
维普
