Structural highlights
Publication Abstract from PubMedIn the search for new chemical entities that can control resistant weeds by addressing novel modes of action (MoAs), we were interested in further exploring a compound class that contained a 1,8-naphthyridine core. By leveraging scaffold hopping methodologies, we were able to discover the new thiazolopyridine compound class that act as potent herbicidal molecules. Further biochemical investigations allowed us to identify that the thiazolopyridines inhibit acyl-acyl carrier protein (ACP) thioesterase (FAT), with this being further confirmed via an X-ray cocrystal structure. Greenhouse trials revealed that the thiazolopyridines display excellent control of grass weed species in pre-emergence application coupled with dose response windows that enable partial selectivity in certain crops. A Study in Scaffold Hopping: Discovery and Optimization of Thiazolopyridines as Potent Herbicides That Inhibit Acyl-ACP Thioesterase.,Abel SAG, Alnafta N, Asmus E, Bollenbach-Wahl B, Braun R, Dittgen J, Endler A, Frackenpohl J, Freigang J, Gatzweiler E, Heinemann I, Helmke H, Laber B, Lange G, Machettira A, McArthur G, Muller T, Odaybat M, Reingruber AM, Roth S, Rosinger CH, Schmutzler D, Schulte W, Stoppel R, Tiebes J, Volpin G, Barber DM J Agric Food Chem. 2023 Sep 7. doi: 10.1021/acs.jafc.3c02490. PMID:37677080[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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