Acetyl-coenzyme A carboxylase (ACCase) is a commercially unexploited fungicidal mode of action.   Leveraging literature and proprietary ligand-bound protein crystal structures, a research effort was conducted to identify novel inhibitors of the ACCase carboxyl transferase domain using a fragment-based design approach. The fragments were combined to form six synthetically actionable scaffolds.  The subsequent targeted libraries prepared were influenced by an additional round of fragment-based design.   The scaffold identification, synthesis of the elaborated scaffold libraries, and their optimization as fungal ACCase inhibitors will be discussed.

Identification of novel fungal acetyl-coenzyme A carboxylase inhibitors via fragment-based design approach

244th National Meeting (2012)

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