Mechanism of action of the external application of Qingshe prescription in treatment of eczema:A study based on network pharmacology and molecular docking
Objective:To investigate the mechanism of action of the external application of Qingshe prescription in the treatment of eczema based on network pharmacology and molecular docking.Methods:TCMSP and UniProt databases were used to obtain the active components and target genes of Qingshe prescription,which was intersected with the target genes of the disease to construct a protein-protein interaction network.DAVID database was used to perform the gene on-tology functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of the core action target genes.Molecular docking was used to investigate the molecular binding ability between the bioactive components of Qingshe prescription and the core targets.Results:A total of 62 effective constituents and 99 action targets were obtained for Qingshe prescription.The key constituents included beta-sitosterol,2,4,7-trihydroxy-9,10-dihydro-phenanthrene,indigotine,stigmasterol,and tryptophan,and the core genes included the transcription factor AP-1,tumor necrosis factor,the proto-oncogene RELA,interferon-γ,and transforming growth factor-beta 1.The key signaling pathways included the cancer signaling pathway,the Chagas disease pathway,the toxoplasmosis pathway,and the lipid and athero-sclerosis pathway,and molecular docking showed a relatively strong binding ability between the active components and the core targets.Conclusion:The external application of Qingshe prescription can effectively inhibit immune inflammatory re-sponse,promote the normal function of immune system,and exert a therapeutic effect on eczema through various active components and pathways.
eczemaQingshe prescriptionmechanism of actionnetwork pharmacologymolecular docking
NETL
NSTL
万方数据
