Synthesis, molecular modelling and enzymatic evaluation of (±) 3, 5-diphenyl-2-thioxoimidazolidin-4-ones as new potential cyclooxygenase inhibitors

…, X de Leval, F Julémont, L Pochet, B Masereel

Index: Gauthier, Marie P.; Michaux, Catherine; Rolin, Stephanie; Vastersaegher, Caroline; De Leval, Xavier; Julemont, Fabien; Pochet, Lionel; Masereel, Bernard Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 4 p. 918 - 927

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Citation Number: 19

Abstract

A series of substituted (±) 3, 5-diphenyl-2-thioxoimidazolin-4-ones was synthesized in order to design new type-2 cyclooxygenase (COX-2) inhibitors. This study has led to molecules which completely inhibit human recombinant COX-2 at 50μM. Molecular modelling highlighted drug interactions with the active site of both cyclooxygenases and suggested modifications to enhance the selectivity of the compounds. In human blood, COX-2 ...