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  • Open Access
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19 Pages

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

  • Noah R. Flynn,
  • Michael D. Ward,
  • Mary A. Schleiff,
  • Corentine M. C. Laurin,
  • Rohit Farmer,
  • Stuart J. Conway,
  • Gunnar Boysen,
  • S. Joshua Swamidass and
  • Grover P. Miller

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. A...

(This article belongs to the Special Issue Computational Strategies in Metabolite Research)