Quantitative structure activity relationship studies of diaryl furanones as selective COX-2 inhibitors.

Selective COX-2 inhibitors have attracted much attention in recent times in the design of non-steroidal anti-inflammatory agents (NSAID), which are devoid of the common side effects of classical NSAIDs. QSAR studies have been performed on a series of diaryl furanones that acts as selective COX-2 inhibitor using Molecular Operating Environment (MOE). The studies were carried out on 43 analogs. These studies produced good predictive models and give statistically significant correlations of selective COX-2 inhibitory with physical property, connectivity and conformation of molecule. Also when available COX-1 inhibitory data was analyzed with descriptors obtained from MOE, partial charge descriptor, van der Waal's surface area and solvation energy gave statistically significant results.