Novel inhibitors of cyclooxygenase-2: the sulfones and sulfonamides of 1,2-diaryl-4,5-difluorobenzene. Analysis of quantitative structure-activity relationship.

Abstract

By a quantitative structure-activity relationship (QSAR) study, the inhibitory activity of a novel series of sulfones and sulfonamides of 1,2-diaryl-4,5-difluorobenzene, against the inducible form of cyclooxygenase (COX-2) was shown to be significantly correlated with the electronic constant (sigma) and some suitable indicator parameters. Considering the results of derived correlations, the substitutional requirement at different positions in the aromatic rings is discussed. In addition, a similar substitutional pattern for these congeners is found through a Fujita-Ban study. The latter approach also assigns higher (positive) activity contributions to those substituents that were guided by the former QSAR study.