QSAR STUDY ON THE INHIBITION OF THE HUMAN CARBONIC ANHYDRASE CYTOSOLIC ISOZYME VII
Jyoti Singh, Meenakshi Lakhwani, Padmakar V. Khadikar, Alexandrù T. Balaban, Brian W. Clare, Claudiu Trandafir Supuran · UWA Profiles and Research Repository (University of Western Australia) · 2006
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.