Issue 2, 2015
From the journal:

Chemical Communications

Out of the active site binding pocket for carbonic anhydrase inhibitors†

Katia D'Ambrosio,*a   Simone Carradori,b   Simona M. Monti,a   Martina Buonanno,a   Daniela Secci,b   Daniela Vullo,cd   Claudiu T. Supurancd  and  Giuseppina De Simone*a  

* Corresponding authors

a Istituto di Biostrutture e Bioimmagini-CNR, Via Mezzocannone 16, Naples, Italy
E-mail: gdesimon@unina.it, katia.dambrosio@cnr.it
Fax: +39 081 2536642
Tel: +39 081 2534579

b Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza University of Rome, P.le A. Moro 5, 00185 Rome, Italy

c Universitá degli Studi di Firenze, Polo Scientifico, Laboratorio di Chimica Bioinorganica, Rm. 188, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy

d NEUROFARBA Department, Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy

Abstract

A structural study of the adduct which 2-benzylsulfinylbenzoic acid forms with human carbonic anhydrase II is reported, showing a binding mode completely different from any other class of carbonic anhydrase inhibitors investigated so far; this carboxylate binds in a pocket situated out of the enzyme active site.

Graphical abstract: Out of the active site binding pocket for carbonic anhydrase inhibitors

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Article information

DOI
https://doi.org/10.1039/C4CC07320G
Article type
Communication
Submitted
16 Sep 2014
Accepted
29 Oct 2014
First published
29 Oct 2014

Chem. Commun., 2015,51, 302-305

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Out of the active site binding pocket for carbonic anhydrase inhibitors

K. D'Ambrosio, S. Carradori, S. M. Monti, M. Buonanno, D. Secci, D. Vullo, C. T. Supuran and G. De Simone, Chem. Commun., 2015, 51, 302 DOI: 10.1039/C4CC07320G

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