Abstract

HUMAN CARBONIC ANHYDRASE I, II AND IV INHIBITION USING GAMMA AMINO BUTYRIC ACID DERIVATIVES OF BENZENE SULFONAMIDES

Dr. Anupama Tiwari*

ABSTRACT

This paper deals with study of inhibition of human carbonic anhydrase I, II and IV using the GABA derivatives of benzene sulfonamides. QSAR and molecular modeling studies have been performed on a series of CA I, II and IV with benzene sulfonamide’s derivatives. The proposed prediction set includes 25 molecules of benzene sulfonamides. Statistically significant models were derived by correlation analysis. In each case quality of regression increases with an increase in the number of variables. The model obtained by deleting outliers allow us to confirm that the five parametric model is the most significant model for modeling biological activity. The efficiency of the proposed model is around 94%. The inhibitory activity of GABA derivatives of benzene sulfonamides is maximum for CA I amongst all three. The predictive power has been examined by leave one out procedure.

Keywords: QSAR, Carbonic Anhydrase, Regression analysis, topological indices.