Bioactivation of Isoxazole-Containing Bromodomain and Extra-Terminal Domain (BET) Inhibitors

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...

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Bibliographic Details
Main Authors: Noah R. Flynn, Michael D. Ward, Mary A. Schleiff, Corentine M. C. Laurin, Rohit Farmer, Stuart J. Conway, Gunnar Boysen, S. Joshua Swamidass, Grover P. Miller
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Metabolites
Subjects:
bromodomain
inhibitor
isoxazole
model
deep neural network
pathway
Online Access:https://www.mdpi.com/2218-1989/11/6/390

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