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  • Title: Quantitative structure activity relationship studies of diaryl furanones as selective COX-2 inhibitors.
    Author: Shahapurkar S, Pandya T, Kawathekar N, Chaturvedi SC.
    Journal: Eur J Med Chem; 2004 Apr; 39(4):383-8. PubMed ID: 15072847.
    Abstract:
    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.
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