To date, catechols have been only poorly investigated as carbonic anhydrase (CA) inhibitors. Here we report the first structural information on the CA inhibition mechanism of 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 Katia;Monti Simona M;De Simone Giuseppina
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 mechanism of 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".
2020
Istituto di Biostrutture e Bioimmagini - IBB - Sede Napoli
Inglese
56
85
13033
13036
4
Esperti anonimi
catechols
carbonic anhydrase
drug design
Internazionale
Elettronico
7
info:eu-repo/semantics/article
262
D'Ambrosio, Katia; Carradori, Simone; Cesa, Stefania; Angeli, Andrea; Monti Simona, M; Supuran Claudiu, T; DE SIMONE, Giuseppina
01 Contributo su Rivista::01.01 Articolo in rivista
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/423007
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