Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV

A set of sulfamides and sulfamates were synthesized and tested against several isoforms of carbonic anhydrase: CA I, CA II, CA VII, CA XII and CA XIV. The biological assays showed a broad range of inhibitory activity, and interesting results were found for several compounds in terms of activity (Ki...

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Autores principales: Gavernet, Luciana, González Funes, José Luis, Palestro, Pablo Hernán, Bruno Blanch, Luis Enrique, Estiú, Guillermina, Maresca, Alfonso, Barrios, Ivana Analía, Supuran, Claudiu T.
Formato: Articulo
Lenguaje:Inglés
Publicado: 2012
Materias:
Química
Carbonic anhydrase
Sulfamides
Docking
Molecular dynamic simulations
Inhibition pattern
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/128716
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-128716
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
Carbonic anhydrase
Sulfamides
Docking
Molecular dynamic simulations
Inhibition pattern
spellingShingle Química
Carbonic anhydrase
Sulfamides
Docking
Molecular dynamic simulations
Inhibition pattern
Gavernet, Luciana
González Funes, José Luis
Palestro, Pablo Hernán
Bruno Blanch, Luis Enrique
Estiú, Guillermina
Maresca, Alfonso
Barrios, Ivana Analía
Supuran, Claudiu T.
Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV
topic_facet Química
Carbonic anhydrase
Sulfamides
Docking
Molecular dynamic simulations
Inhibition pattern
description A set of sulfamides and sulfamates were synthesized and tested against several isoforms of carbonic anhydrase: CA I, CA II, CA VII, CA XII and CA XIV. The biological assays showed a broad range of inhibitory activity, and interesting results were found for several compounds in terms of activity (Ki <1μm) and selectivity: some aromatic sulfamides are active against CA I, CA II and/or CA VII; while they are less active in CA XII and CA XIV. On the other hand, bulky sulfamides are selective to CA VII. To understand the origin of the different inhibitory activity against each isozyme we used molecular modeling techniques such as docking and molecular dynamic simulations.
format Articulo
Articulo
author Gavernet, Luciana
González Funes, José Luis
Palestro, Pablo Hernán
Bruno Blanch, Luis Enrique
Estiú, Guillermina
Maresca, Alfonso
Barrios, Ivana Analía
Supuran, Claudiu T.
author_facet Gavernet, Luciana
González Funes, José Luis
Palestro, Pablo Hernán
Bruno Blanch, Luis Enrique
Estiú, Guillermina
Maresca, Alfonso
Barrios, Ivana Analía
Supuran, Claudiu T.
author_sort Gavernet, Luciana
title Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV
title_short Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV
title_full Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV
title_fullStr Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV
title_full_unstemmed Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV
title_sort inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms i, ii, vii, xii and xiv
publishDate 2012
url http://sedici.unlp.edu.ar/handle/10915/128716
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bdutipo_str Repositorios
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