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Machine learning and structure-based modeling for the prediction of UDP-glucuronosyltransferase inhibition

UDP-glucuronosyltransferases (UGTs) are responsible for 35% of the phase II drug metabolism. In this study, we focused on UGT1A1, which is a key UGT isoform. Strong inhibition of UGT1A1 may trigger adverse drug/herb-drug interactions, or result in disorders of endobiotic metabolism. Most of the curr...

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Detalles Bibliográficos
Autores principales: Dudas, Balint, Bagdad, Youcef, Picard, Milan, Perahia, David, Miteva, Maria A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9593791/
https://www.ncbi.nlm.nih.gov/pubmed/36304105
http://dx.doi.org/10.1016/j.isci.2022.105290