Hansch analysis of dihydro-pyrazolyl-thiazolinone derivatives as potential COX-2 inhibitors

QSAR Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad-211 002,

Uttar Pradesh, India

E-mail : draksrivastava1@rediffmail.com

Manuscript received online 02 April 2015, accepted 07 May 2015

Quantitative structure activity relationship (QSAR) study has been performed on the dihydro-pyrazolyl-thiazolinone derivatives. This study is based on modeling the COX-2 inhibitors of dihydro-pyrazolyl-thiazolinone derivatives using topological and physicochemical parameters. It has been demonstrated that steric, electronic and topological parameters along with indicator variables are significantly correlated with activity. The multiple regression analysis revealed that the four-parametric model containing χ_eq, Mv, I₁ , I² are correlating parameters and best for modeling the activity of the compounds under present study which was able to explain 89.7% of the variance in the data. The QSAR models were tested for their statistical significance and reliability by using leave one out (LOO) cross validation method.