The paper deals with quantitative structure-activity relationship (QSAR) study on CA inhibitory activity (logIC(50)) of disulfonamides using a large series of distance-based topological indices. The study discusses effect due to halogen-substitution nearer (o-position) to -SO(2)NH(2) groups. The results have shown that halogen substitution at R(3) has pronounced effect on the inhibitory activity. Predictive power of the proposed models is discussed on the basis of regression data and cross-validation parameters.
QSAR study on CA inhibitory activity of disulfonamides: effect of halogen substitution / M. Jaiswal;P. V. Khadikar;C. T. Supuran. - In: BIOORGANIC & MEDICINAL CHEMISTRY. - ISSN 0968-0896. - STAMPA. - 12:(2004), pp. 2477-2482. [10.1016/j.bmc.2004.01.049]
QSAR study on CA inhibitory activity of disulfonamides: effect of halogen substitution.
SUPURAN, CLAUDIU TRANDAFIR
2004
Abstract
The paper deals with quantitative structure-activity relationship (QSAR) study on CA inhibitory activity (logIC(50)) of disulfonamides using a large series of distance-based topological indices. The study discusses effect due to halogen-substitution nearer (o-position) to -SO(2)NH(2) groups. The results have shown that halogen substitution at R(3) has pronounced effect on the inhibitory activity. Predictive power of the proposed models is discussed on the basis of regression data and cross-validation parameters.
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