QSAR study on topically acting sulfonamides incorporating GABA moieties: A molecular connectivity approach

A quantitative Structure–activity relationship study (QSAR) on a set of carbonic anhydrase (CA, EC 4.2.1.1) inhibitors is reported using first-order valence connectivity index (1χv). The inhibitory activity against three isozymes CAI, CAII (cystolic forms), and CAIV (membrane bound form), some of which are involved in important physiological processes, were considered for this purpose. All the three activities were excellently modeled by 1χv in multi-parametric regression containing indicator parameters. The results are critically discussed on the basis of various regression parameters.

Graphical abstractA quantitative Structure–activity relationship study (QSAR) on a set of carbonic anhydrase inhibitors is presented using first-order valence connectivity index (1χv). The inhibitory activity against three isozymes CAI, CAII (cystolic forms), and CAIV (membrane bound form), some of which are involved in important physiological processes, were considered for this purpose. All the three activities were well modeled by 1χv in multi-parametric regression containing indicator parameters. The results are critically discussed on the basis of variety of statistical analyses.