莪术醇调控谷氨酰胺代谢分子机制的生物信息学研究OA

The potential targets of curcumol were retrieved from the PharmMapper and Swiss Target Prediction databases,while glutamine metabolism-related targets were mined from GeneCards,Online Mendelian Inheritance in Man(OMIM),and the Comparative Toxicogenomics Database(CTD).After screening,the intersection targets were subjected to protein-protein interaction(PPI)network analysis.Gene Ontology(GO)annotation and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed using the Metascape platform.Molecular docking was conducted with AutoDock software to validate the binding activity between key active components and disease targets.The study identified 150 interactive targets of curcumol involved in glutamine metabolism regulation,with genes such as MAPK1,HSP90AA1,and PRKACA ranking high in connectivity.Molecular docking results indicated that curcumol exhibited high affinity for HSP90AA1,EGFR,ALB,IGF1,MAPK1,and MMP9,suggesting its potential inhibitory activity on glutamine metabolism.In conclusion,network pharmacology and molecular docking predicted that curcumol could regulate glutamine metabolism through multiple targets and pathways,providing a theoretical basis for further experimental research.