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Bioactivation of Isoxazole-Containing Bromodomain and Extra-Terminal Domain (BET) Inhibitors
The 3,5-dimethylisoxazole motif has become a useful and popular acetyl-lysine mimic employed in isoxazole-containing bromodomain and extra-terminal (BET) inhibitors but may introduce the potential for bioactivations into toxic reactive metabolites. As a test, we coupled deep neural models for quinon...
Autores principales: | Flynn, Noah R., Ward, Michael D., Schleiff, Mary A., Laurin, Corentine M. C., Farmer, Rohit, Conway, Stuart J., Boysen, Gunnar, Swamidass, S. Joshua, Miller, Grover P. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8232216/ https://www.ncbi.nlm.nih.gov/pubmed/34203690 http://dx.doi.org/10.3390/metabo11060390 |
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