A linear quantitative structure-activity relationship has been developed for a series of para-substituted aromatic sulfonamides by using topological index methodologies. The compounds were studied for their carbonic anhydrase II (CAII) inhibitory activity. A large series of topological indices were calculated and the stepwise regression method was used to derive the most significant model. Very good results were obtained using multi-parametric regressions and showed that the information approach used in the present work is quite useful for modeling carbonic anhydrase inhibition.
QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices / G. Melagraki;A. Afantitis;H. Sarimveis;O. Igglessi-Markopoulou;C. T. Supuran. - In: BIOORGANIC & MEDICINAL CHEMISTRY. - ISSN 0968-0896. - STAMPA. - 14:(2006), pp. 1108-1114. [10.1016/j.bmc.2005.09.038]
QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices.
SUPURAN, CLAUDIU TRANDAFIR
2006
Abstract
A linear quantitative structure-activity relationship has been developed for a series of para-substituted aromatic sulfonamides by using topological index methodologies. The compounds were studied for their carbonic anhydrase II (CAII) inhibitory activity. A large series of topological indices were calculated and the stepwise regression method was used to derive the most significant model. Very good results were obtained using multi-parametric regressions and showed that the information approach used in the present work is quite useful for modeling carbonic anhydrase inhibition.
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