Quantitative structure-activity relationship based modeling of substituted indole Schiff bases as inhibitor of COX-2

We have performed the quantitative structure activity relationship (QSAR) study for N-1 and C-3 substituted indole shiff bases to understand the structural features that influence the inhibitory activity toward the cyclooxygenase-2 (COX-2) enzyme. The calculated QSAR results revealed that the drug activity could be modeled by using molecular connectivity indices (0χ, 1χ, 2χ), wiener index (W) and mean wiener index (WA) parameters. The predictive ability of models was cross validated by evaluating the low residual activity, appreciable cross validated r2 values (Rcv2) and leave one out (LOO) technique.