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 l,2-diaryl-4,5-difluorobenzene, against the inducible form of cyclooxygenase (COX-2) was shown to be significantly correlated with the electronic constant (s`) 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.

Key Words:

• Quantitative structure-activity relationship (QSAR)
• Inhibitors of cyclooxygenase
• COX-2
• Sulfones
• sulfonamides of 1,2-diaryl-4,5-difluorobenzene
• Terphenyls
• Fujita-Ban approach