title: 1,3-Dioxane-4,6-dione-5-carboxamide-based inhibitors of human group IIA phospholipase A: X-ray structure of the complex and interfacial selection of inhibitors from a structural library.
abstract: A library of 109 1,3-dioxane-4,6-dione-5-carboxamides was prepared by solution-phase methods as potential inhibitors of human group IIa phospholipase A2. Tight binding inhibitors were found by an interfacial affinity selection method. The crystal structure of the secreted phospholipase A2 containing one of the inhibitors was determined, and it reveals the inhibitor-calcium bidendate coordination.
mesh_terms: D000081:Acetamides / Q000138:chemical synthesis*; D018360:Crystallography, X-Ray; D054501:Group II Phospholipases A2; D006801:Humans; D008956:Models, Chemical; D008958:Models, Molecular; D019151:Peptide Library; D010741:Phospholipases A / Q000037:antagonists & inhibitors*; D054467:Phospholipases A2; D013997:Time Factors