Structural analysis of charge discrimination in the binding of inhibitors to human carbonic anhydrases I and II

…, AL Banerjee, M Haldar, S Manokaran…

Index: Srivastava; Jude, Kevin M.; Banerjee, Abir L.; Haldar, Manas; Manokaran, Sumathra; Kooren, Joel; Mallik, Sanku; Christianson, David W. Journal of the American Chemical Society, 2007 , vol. 129, # 17 p. 5528 - 5537

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Citation Number: 43

Abstract

Despite the similarity in the active site pockets of carbonic anhydrase (CA) isozymes I and II, the binding affinities of benzenesulfonamide inhibitors are invariably higher with CA II as compared to CA I. To explore the structural basis of this molecular recognition phenomenon, we have designed and synthesized simple benzenesulfonamide inhibitors substituted at the para position with positively charged, negatively charged, and neutral functional groups, ...