Several new molecules with different thio-scaffolds were designed, synthesised, and evaluated biologically as inhibitors of Carbonic Anhydrases (CAIs). The structure-activity relationship analysis identified thioether derivatives, here reported, as a potent and selective CAIs against hCA II and hCA IX. High resolution X-ray structure of inhibitor bound hCA II revealed extensive interactions with the hydrophobic pocket of active site and provided molecular insight into the binding properties of these new inhibitors.
Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism / Angeli, Andrea; Tanini, Damiano; Capperucci, Antonella; Malevolti, Gianni; Turco, Francesca; Ferraroni, Marta; Supuran, Claudiu T.*. - In: BIOORGANIC CHEMISTRY. - ISSN 0045-2068. - STAMPA. - 81:(2018), pp. 642-648. [10.1016/j.bioorg.2018.09.028]
Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism
Angeli, Andrea;Tanini, Damiano;Capperucci, Antonella;Ferraroni, Marta;Supuran, Claudiu T.
2018
Abstract
Several new molecules with different thio-scaffolds were designed, synthesised, and evaluated biologically as inhibitors of Carbonic Anhydrases (CAIs). The structure-activity relationship analysis identified thioether derivatives, here reported, as a potent and selective CAIs against hCA II and hCA IX. High resolution X-ray structure of inhibitor bound hCA II revealed extensive interactions with the hydrophobic pocket of active site and provided molecular insight into the binding properties of these new inhibitors.I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.