Thymidylate synthase is a cytosolic enzyme that plays an essential role in DNA replication and repair in many organisms. X-ray crystal structures of thymidylate synthase from various organisms have been reported in the open literature as have non-endogenous ligands and biochemical assays for determining the potency of those ligands. Leveraging that information, computational models and a biochemical assay were developed directed toward discovering thymidylate synthase ligands which control agriculturally-relevant fungal pathogens. This paper will describe this research as well as the screening program and targeted synthetic efforts employed to identify novel fungicidal thymidylate synthase inhibitors.

Research directed towards the discovery of novel thymidylate synthase inhibitors as agricultural fungicides

246th National Meeting (2013)

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