A network pharmacology and molecular docking study on treating atopic dermatitis in children with the Shizhen No.2 prescription
Objective:To investigate the action mechanism of the Shizhen No.2 prescription(湿疹2号方)on atopic dermatitis in children using network pharmacology and molecular docking.Methods:Active components of the Shizhen No.2 prescription were obtained from TCMSP database.SwissTargetPrediction and PubChem databases were used to obtain active ingredient related targets.GeneCards and DisGeNET were used to retrieve relevant targets of atopic dermatitis in children.The intersection targets of active ingredient related targets and atopic dermatitis in children related targets were the potential targets of the Shizhen No.2 prescription on atopic dermatitis in children.The compound-active component-target network was constructed by Cytoscape 3.9.1 software.The potential targets were imported into STRING database for PPI network analysis.The GO and KEGG enrichment analyses were performed by DAVID database,and AutoDock and PyMol were used for molecular docking and visualization.Results:A total of 33 active components of the Shizhen No.2 prescription,620 related targets,1 493 disease targets,and 208 potential targets were obtained finally.The main active ingredients included baicalein,tectochrysin,apigenin,shikonin,luteolin,etc..Core targets included SRC,IL-6,VCAM1,MAPK1,MAPK3,etc..The key pathways included Th17 differentiation,TNF signaling pathway,T cell receptor signaling pathway,etc..Conclusion:The Shizhen No.2 prescription may achieve the effect on atopic dermatitis in children mainly through Th17 cell differentiation,TNF signaling pathway,T cell receptor signaling pathway,etc.
The Shizhen No.2 prescriptionAtopic dermatitis in childrenNetwork pharmacologyMolecular dockingAction mechanism
万方数据
维普
