TY - JOUR
T1 - QSAR STUDY ON THE INHIBITION OF THE HUMAN CARBONIC ANHYDRASE CYTOSOLIC ISOZYME VII
AU - Singh, J.
AU - Lakhwani, M.
AU - Khadikar, P.V.
AU - Balaban, A.T.
AU - Clare, B.W.
AU - Supuran, C.T.
PY - 2006
Y1 - 2006
N2 - The inhibition of a newly cloned human carbonic anhydrase (CA, EC 4-2-1-1) isozyme VII (hCAII) by a series of 32 aromatic and heterocyclic sulfonamides, including some of the clinically used derivatives (acetazolamide, methazolamide, ethoxzolamide, dichlorophenamide, dorzolamide, brinzolamide, and benzolamide, as well as the sulfamate antiepileptic drug topiramate), has been modeled using a set of distance-based topological indices and structural descriptors. The results have shown that the Balaban-type indices play a dominant role. Excellent results were obtained in multiparametric regressions. The results are discussed with a variety of statistical indicators.
AB - The inhibition of a newly cloned human carbonic anhydrase (CA, EC 4-2-1-1) isozyme VII (hCAII) by a series of 32 aromatic and heterocyclic sulfonamides, including some of the clinically used derivatives (acetazolamide, methazolamide, ethoxzolamide, dichlorophenamide, dorzolamide, brinzolamide, and benzolamide, as well as the sulfamate antiepileptic drug topiramate), has been modeled using a set of distance-based topological indices and structural descriptors. The results have shown that the Balaban-type indices play a dominant role. Excellent results were obtained in multiparametric regressions. The results are discussed with a variety of statistical indicators.
M3 - Article
SN - 0035-3930
VL - 51
SP - 691
EP - 701
JO - Revue Roumaine de Chimie
JF - Revue Roumaine de Chimie
IS - 7-8
ER -