Carboxylates are the least investigated class of inhibitors of carbonic anhydrases (CAs). Here we explain the versatility of binding of these molecules to CAs by examining a new adduct of hCA II with N-carboxymethylsaccharin.

A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases

Langella Emma;D'Ambrosio Katia;Monti Simona M;De Simone Giuseppina
2016

Abstract

Carboxylates are the least investigated class of inhibitors of carbonic anhydrases (CAs). Here we explain the versatility of binding of these molecules to CAs by examining a new adduct of hCA II with N-carboxymethylsaccharin.
2016
Istituto di Biostrutture e Bioimmagini - IBB - Sede Napoli
carbonic anhydrases
drug design
inhibitors
theoretical calculations
X-ray structures
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Descrizione: A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/341509
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