To date, catechols have been only poorly investigated as carbonic anhydrase (CA) inhibitors. Here we report the first structural information on the CA inhibition mechanismof these molecules, showing that they adopt a peculiar binding mode to the enzyme active site which involves the zinc-bound water molecule and the ‘‘deep water’’.
Catechols: A new class of carbonic anhydrase inhibitors / D'Ambrosio, K.; Carradori, S.; Cesa, S.; Angeli, A.; Monti, S. M.; Supuran, C. T.; De Simone, G.. - In: CHEMICAL COMMUNICATIONS. - ISSN 1359-7345. - 56:85(2020), pp. 13033-13036. [10.1039/d0cc05172a]
Catechols: A new class of carbonic anhydrase inhibitors
Cesa S.;
2020
Abstract
To date, catechols have been only poorly investigated as carbonic anhydrase (CA) inhibitors. Here we report the first structural information on the CA inhibition mechanismof these molecules, showing that they adopt a peculiar binding mode to the enzyme active site which involves the zinc-bound water molecule and the ‘‘deep water’’.File allegati a questo prodotto
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