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Article Dans Une Revue European Journal of Medicinal Chemistry Année : 2018

New selective cyclooxygenase-2 inhibitors from cyclocoumarol: Synthesis, characterization, biological evaluation and molecular modeling

Résumé

In this work, a serie of cyclocoumarol derivatives was designed, synthesized, characterized and studied for their potentialities as selective inhibitors of COX-2. All target compounds have been screened for their anti-inflammatory activity by the assay of PGE2 production. Among them, compound 5d exhibited the most potent inhibitory activity with a PGE2 inhibition compared to NS-398 (79% and 88% respectively) and showed non-inhibitory activity towards the COX-1 enzyme. Docking studies revealed the capacity of this compound to occupy the selective COX-2 cavity establishing additional hydrogen bonds between the oxygen of the methoxy group and the His90 and Arg513 of the binding site of the enzyme.
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hal-02453627 , version 1 (24-01-2020)

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Anita Marie Rayar, Nathalie Lagarde, Frédérique Martin, Florent Blanchard, Bertrand Liagre, et al.. New selective cyclooxygenase-2 inhibitors from cyclocoumarol: Synthesis, characterization, biological evaluation and molecular modeling. European Journal of Medicinal Chemistry, 2018, 146, pp.577-587. ⟨10.1016/j.ejmech.2018.01.054⟩. ⟨hal-02453627⟩
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