title: Discovery of imidazole glycerol phosphate dehydratase inhibitors through 3-D database searching.
abstract: Imidazole glycerol phosphate dehydratase (IGPD) has become an attractive target for herbicide discovery since it is present in plants and not in mammals. Currently no knowledge is available on the 3-D structure of the IGPD active site. Therefore, we used a pharmacophore model based on known inhibitors and 3-D database searches to identify new active compounds. In vitro testing of compounds from the database searches led to the identification of a class of pyrrole aldehydes as novel inhibitors of IGPD.
authors.affiliation: Monsanto Company, 800 N. Lindbergh Blvd., St. Louis, MO 63167, USA. barbara.a.schweitzer@pharmacia.com
authors.forename: Barbara A
authors.initials: BA
authors.lastname: Schweitzer
authors.forename: Paul J
authors.initials: PJ
authors.lastname: Loida
authors.forename: Claire A
authors.initials: CA
authors.lastname: CaJacob
authors.forename: Robert C
authors.initials: RC
authors.lastname: Chott
authors.forename: Elizabeth M
authors.initials: EM
authors.lastname: Collantes
authors.forename: Shridhar G
authors.initials: SG
authors.lastname: Hegde
authors.forename: Philip D
authors.initials: PD
authors.lastname: Mosier
authors.forename: Salvatore
authors.initials: S
authors.lastname: Profeta
mesh_terms: D000447:Aldehydes / Q000032:analysis / Q000737:chemistry; D001665:Binding Sites; D016208:Databases, Factual; D004791:Enzyme Inhibitors / Q000737:chemistry*; D006540:Herbicides / Q000737:chemistry; D006836:Hydro-Lyases / Q000037:antagonists & inhibitors* / Q000737:chemistry*; D020128:Inhibitory Concentration 50; D008956:Models, Chemical; D008968:Molecular Conformation; D011758:Pyrroles / Q000032:analysis / Q000737:chemistry*; D014230:Triazoles / Q000737:chemistry*
chemical_list: D000447:Aldehydes; D004791:Enzyme Inhibitors; D006540:Herbicides; D011758:Pyrroles; D014230:Triazoles; D006836:Hydro-Lyases; C021434:imidazoleglycerolphosphate dehydratase