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 ((1)chi(v)). 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 (1)chi(v) in multi-parametric regression containing indicator parameters. The results are critically discussed on the basis of various regression parameters.
QSAR study on topically acting sulfonamides incorporating GABA moieties: a molecular connectivity approach / V. K. Agrawal;J. Singh;P. V. Khadikar;C. T. Supuran. - In: BIOORGANIC & MEDICINAL CHEMISTRY LETTERS. - ISSN 0960-894X. - STAMPA. - 16:(2006), pp. 2044-2051. [10.1016/j.bmcl.2005.08.071]
QSAR study on topically acting sulfonamides incorporating GABA moieties: a molecular connectivity approach.
SUPURAN, CLAUDIU TRANDAFIR
2006
Abstract
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 ((1)chi(v)). 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 (1)chi(v) in multi-parametric regression containing indicator parameters. The results are critically discussed on the basis of various regression parameters.I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.