New selective cyclooxygenase-2 inhibitors from cyclocoumarol: Synthesis, characterization, biological evaluation and molecular modeling.
Eur J Med Chem
; 146: 577-587, 2018 Feb 25.
Article
em En
| MEDLINE
| ID: mdl-29407982
ABSTRACT
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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Base de dados:
MEDLINE
Assunto principal:
Ciclo-Oxigenase 2
/
Inibidores de Ciclo-Oxigenase 2
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4-Hidroxicumarinas
Idioma:
En
Ano de publicação:
2018
Tipo de documento:
Article