QSAR STUDY OF 4- BENZYLIDENEAMINOBENZENESULFONAMIDES AS SELECTIVE COX-1 INHIBITORS

Gokhale Prasad*, Bajaj A.V. & Khadikar P.V.

ABSTRACT

A QSAR study on 4-benzylideneamino-benzenesulfonamide derivatives as selective cyclooxygenase-1 (COX-1) inhibitors was performed with 21 (16 training + 5 test) compounds. Molecular modeling studies were performed using Chemoffice 6.0 supplied by cambridgesoft. The sketched structures were subjected to energy minimization and the lowest energy structure was used to calculate the physiochemical properties. The relationship between inhibitory activity and various descriptors is established by step-wise multiple regression analysis using VALSTAT. The analysis has produced good predictive and statistically significant QSAR models. The values of statistical data are: n=16, r=0.850, r2=0.724, adjusted squared multiple R=0.713, Standard error of estimate(s) = 0.193 & validated r2 (q2) =0.618 These studies are promising for the development of novel COX-1 inhibitor, which may have potent antiinflammatory activity devoid of side effects like gastric ulcer and renal failures.

Keywords: QSAR analysis, 4- benzylideneamino, 4- phenyliminomethylbenzenesulfonamide, Cyclooxygenase-1, COX-1