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

作者：Langella Emma; D' Ambrosio Katia; D' Ascenzio Melissa; Carradori Simone; Monti Simona M; Supuran Claudiu T; De Simone Giuseppina

来源：Chemistry - A European Journal, 2016, 22(1): 97-100.

DOI：10.1002/chem.201503748

• carbonic anhydrases
• drug design
• inhibitors
• theoretical calculations
• X-ray structures

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.

• 出版日期2016-1-4