title: Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
abstract: In this paper we report the synthesis of a series of benzoxaborole derivatives, their inhibition properties against some carbonic anhydrases (CAs), recognized as important drug targets, and the characterization of the binding mode of these molecules to the CA active site. Our data provide the first experimental evidence that benzoxaboroles can be efficiently used as CA inhibitors.
authors.affiliation: Istituto di Biostrutture e Bioimagini-CNR, Naples, Italy. gdesimon@unina.it.
authors.forename: Vincenzo
authors.initials: V
authors.lastname: Alterio
authors.affiliation: Institut des Biomolécules Max Mousseron (IBMM) UMR5247 CNRS, ENSCM, Université de Montpellier, Montpellier, France. jean-yves.winum@umontpellier.fr and Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari, Sassari, Italy.
authors.forename: Roberta
authors.initials: R
authors.lastname: Cadoni
authors.affiliation: Istituto di Biostrutture e Bioimagini-CNR, Naples, Italy. gdesimon@unina.it.
authors.forename: Davide
authors.initials: D
authors.lastname: Esposito
authors.affiliation: Laboratorio di Chimica Bioinorganica, Polo Scientifico, Università degli Studi di Firenze, Sesto Fiorentino, Florence, Italy.
authors.forename: Daniela
authors.initials: D
authors.lastname: Vullo
authors.affiliation: Istituto di Biostrutture e Bioimagini-CNR, Naples, Italy. gdesimon@unina.it.
authors.forename: Anna Di
authors.initials: AD
authors.lastname: Fiore
authors.affiliation: Istituto di Biostrutture e Bioimagini-CNR, Naples, Italy. gdesimon@unina.it.
authors.forename: Simona Maria
authors.initials: SM
authors.lastname: Monti
authors.affiliation: Istituto di Biostrutture e Bioimagini-CNR, Naples, Italy. gdesimon@unina.it.
authors.forename: Andrea
authors.identifier: 0000-0002-7827-3960
authors.initials: A
authors.lastname: Caporale
authors.affiliation: Istituto di Biostrutture e Bioimagini-CNR, Naples, Italy. gdesimon@unina.it.
authors.forename: Menotti
authors.initials: M
authors.lastname: Ruvo
authors.affiliation: Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari, Sassari, Italy.
authors.forename: Mario
authors.initials: M
authors.lastname: Sechi
authors.affiliation: Institut des Biomolécules Max Mousseron (IBMM) UMR5247 CNRS, ENSCM, Université de Montpellier, Montpellier, France. jean-yves.winum@umontpellier.fr.
authors.forename: Pascal
authors.initials: P
authors.lastname: Dumy
authors.affiliation: Neurofarba Department, Section of Pharmaceutical and Nutriceutical Sciences, Università degli Studi di Firenze, Sesto Fiorentino, Florence, Italy.
authors.forename: Claudiu T
authors.initials: CT
authors.lastname: Supuran
authors.affiliation: Istituto di Biostrutture e Bioimagini-CNR, Naples, Italy. gdesimon@unina.it.
authors.forename: Giuseppina
authors.initials: G
authors.lastname: De Simone
authors.affiliation: Institut des Biomolécules Max Mousseron (IBMM) UMR5247 CNRS, ENSCM, Université de Montpellier, Montpellier, France. jean-yves.winum@umontpellier.fr.
authors.forename: Jean-Yves
authors.initials: JY
authors.lastname: Winum
mesh_terms: D001665:Binding Sites; D002257:Carbonic Anhydrase Inhibitors / Q000737:chemistry / Q000378:metabolism*; D002256:Carbonic Anhydrases / Q000737:chemistry / Q000378:metabolism*; D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D006801:Humans; D007527:Isoenzymes / Q000037:antagonists & inhibitors / Q000378:metabolism; D056004:Molecular Dynamics Simulation; D011485:Protein Binding; D013329:Structure-Activity Relationship; D013449:Sulfonamides / Q000737:chemistry / Q000378:metabolism
chemical_list: D002257:Carbonic Anhydrase Inhibitors; D007527:Isoenzymes; D013449:Sulfonamides; D002256:Carbonic Anhydrases