2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site

Murat Bozdag; Claudiu T. Supuran; Davide Esposito; Andrea Angeli; Fabrizio Carta; Simona Maria Monti; Giuseppina De Simone; Vincenzo Alterio

doi:10.1039/D0CC02857F

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2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site†

Murat Bozdag,

^a Claudiu T. Supuran,

^a Davide Esposito,

^b Andrea Angeli,

^a Fabrizio Carta,

^a Simona Maria Monti,

^b Giuseppina De Simone

*^b and Vincenzo Alterio

*^b

Author affiliations

* Corresponding authors

^a Neurofarba Department, Section of Pharmaceutical and Nutriceutical Sciences, Università degli Studi di Firenze, Sesto Fiorentino, Florence, Italy

^b Istituto di Biostrutture e Bioimmagini-CNR, Naples, Italy
E-mail: giuseppina.desimone@cnr.it, vincenzo.alterio@cnr.it
Tel: +39-081-2534579

Abstract

2-Mercaptobenzoxazole is a widely used organic scaffold in medicinal chemistry. By means of kinetic and structural studies, we demonstrate that this molecule can effectively be used to inhibit hCAs showing a peculiar binding mode. The results reported here can pave the way for the development of selective CA inhibitors.

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Article information

DOI: https://doi.org/10.1039/D0CC02857F
Article type: Communication
Submitted: 20 Apr 2020
Accepted: 12 Jun 2020
First published: 23 Jun 2020
This article is Open Access

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Chem. Commun., 2020,56, 8297-8300

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2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site

M. Bozdag, C. T. Supuran, D. Esposito, A. Angeli, F. Carta, S. M. Monti, G. De Simone and V. Alterio, Chem. Commun., 2020, 56, 8297 DOI: 10.1039/D0CC02857F

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Chemical Communications

2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site†

Abstract

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2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site

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