Quantitative Structure Activity Relationship Studies Of Benzothiazolamine As Selective COX-2 InhibitorAuthor(s): Kishor P.Bhusari, Ritesh P.Bhole
Selective COX-2 inhibitor have attracted much attention in recent times in 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 benzothiazolamines that acts as selective COX-2 inhibitor using a three dimensional QSAR. The studies were carried on twenty analogs. Various physicochemical parameter were calculated using Chem Office 2001 software.QSAR models were generated for cyclooxygenase inhibitor activity using stepwise multiple regression analysis. Statistically significant models were obtained gave r2 value(square of correlation coefficient) as 0.8102 after per oral, 2h. The studies indicated that the anti-inflammatory activity is depend on spatial and thermodynamic descriptor. Cross validation was performed using the leave one out method. Obtained and validated models bring important structural insight to aid the design of novel selective COX-2 inhibitors prior to their synthesis.