Catechols: a new class of carbonic anhydrase inhibitors.
Katia D'AmbrosioSimone CarradoriStefania CesaAndrea AngeliSimona M MontiClaudiu T SupuranGiuseppina De SimonePublished in: Chemical communications (Cambridge, England) (2020)
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".