%0 Journal Article
%T Seeking new approach for therapeutic treatment of cholera disease via inhibition of bacterial carbonic anhydrases: experimental and theoretical studies for sixteen benzenesulfonamide derivatives
%A Claudiu T. Supuran
%A Clemente Capasso
%A Daniela Vullo
%A Francesca Mancuso
%A Laura De Luca
%A Rosaria Gitto
%A Sonia Del Prete
%J Journal of Enzyme Inhibition and Medicinal Chemistry
%D 2019
%R https://doi.org/10.1080/14756366.2019.1618292
%X Abstract A series of sixteen benzenesulfonamide derivatives has been synthesised and tested as inhibitors of Vibrio cholerae carbonic anhydrase (CA) enzymes, belonging to ¦Á-CA, ¦Â-CA, and ¦Ã-CA classes (VchCA¦Á, VchCA¦Â, and VchCA¦Ã). The determined Ki values were compared to those of selected human CA isoforms (hCA I and hCA II). Structure-affinity relationship analysis highlighted that all tested compounds proved to be active inhibitors of VchCA¦Á at nanomolar concentration. The VchCA¦Â activity was lower to respect inhibitory efficacy toward VchCA¦Á, whereas, these benzenesulfonamide derivatives failed to inhibit VchCA¦Ã. Interestingly, compound 7e combined the best activity toward VchCA¦Á and VchCA¦Â. In order to obtain a model for binding mode of our inhibitors toward bacterial CAs, we carried out docking simulations by using the available crystal structures of VchCA¦Â. GRAPHICAL ABSTRAC
%U https://www.tandfonline.com/doi/full/10.1080/14756366.2019.1618292