Discussion on the mechanism of"Baishao-Chaihu"herbal pair in treating childhood tic disorder based on network pharmacology and molecular docking
Objective:To investigate the active components,targets,signaling pathways,and mechanism of action of the"Baishao-Chaihu"herbal pair in treating childhood tic disorder(TD)using network pharmacology methods and molecu-lar docking technology.Methods:Active components and related targets of the"Baishao-Chaihu"herbal pair were screened using the TCMSP database.Disease targets associated with childhood TD were obtained from databases such as GeneCards,OMIM,DruGBank,and TTD.A drug-disease target network was constructed using the STRING database and Cytoscape 3.7.2 software,and GO functional analysis and KEGG pathway enrichment analysis were performed.Molecular docking technology was used to validate the binding activity of core targets and related compounds,calculating the binding energy to preliminarily verify the mechanism of action of the"Baishao-Chaihu"herbal pair in treating childhood TD.Re-sults:The core targets of the"Baishao-Chaihu"herbal pair in treating childhood TD were Akt1,IL-6,TNF,and IL-1β,with the core components being quercetin,kaempferol,and β-sitosterol.The main biological pathways involved the PI3K-Akt signaling pathway,IL-17 signaling pathway,MAPK signaling pathway,and TNF signaling pathway.Molecular dock-ing results showed good binding activity between core components and core targets.Conclusion:The"Baishao-Chaihu"herbal pair exhibits characteristics of multiple components,multiple targets,and multiple pathways,providing insights for subsequent research and clinical application in childhood TD.
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