Network pharmacology and molecular docking reveal the mechanism of Xiaochaihu decoction in treating mycoplasma pneumonia and its association with pulmonary epidemic
Objective:To investigate the mechanism of action of Xiaochaihu decoction in the treatment of my-coplasma pneumonia based on network pharmacology and molecular docking.Methods:TCMSP,PubChem,and UniProt databases were searched to obtain the chemical components and potential action targets of Xiaochaihu decoction,and GeneCards,CTD,DrugBank,and OMIM databases were used to obtain the disease targets of mycoplasma pneumonia.The targets of the drug were intersected with the disease targets to obtain the intersecting targets of Xiaochaihu decoc-tion in the treatment of mycoplasma pneumonia.STRING platform was used to perform protein-protein interaction anal-ysis,and DAVID database was used to perform gene ontology(GO)functional enrichment analysis and Kyoto Encyclo-pedia of Genes and Genomes(KEGG)pathway enrichment analysis.CytoScape 3.9.1 was used to construct a visual-ized network.Molecular docking validation was performed for the key active components and the key targets.Results:The above analyses obtained 141 active components and 277 action targets for the drug and 664 targets for the disease,and there were 89 intersecting targets.The GO functional enrichment analysis obtained 335 biological process terms,26 cellular component terms,and 60 molecular function terms,and the KEGG pathway enrichment analysis obtained 138 signaling pathways.Molecular docking showed a relatively high binding activity between the effective constituents and the key targets,with a binding energy of＜-5.0 kcal/mol.Conclusion:The key components of Xiaochaihu decoction in the treatment of mycoplasma pneumonia include quercetin,wogonin,kaempferol,1-methoxyphaseollidin,baicalein,nar-ingenin,acacetin,and isorhamnetin,and the core action targets include AKT1,TNF,JUN,TP53,and IL-6.Xiaochaihu decoction exerts a regulatory effect on immune function and inflammatory response mainly through the AGE-RAGE sig-naling pathway,the IL-17 signaling pathway,the TNF signaling pathway,and the Th17 cell differentiation signaling pathway.
mycoplasma pneumoniaepidemic diseases of the lung systemXiaochaihu decoctionnetwork pharmacologymolecular docking
NETL
NSTL
万方数据
