Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV
- Autores
- Gavernet, Luciana; González Funes, José Luis; Palestro, Pablo Hernán; Bruno Blanch, Luis Enrique; Estiú, Guillermina; Maresca, Alfonso; Barrios, Ivana Analía; Supuran, Claudiu T.
- Año de publicación
- 2012
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- 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.
Facultad de Ciencias Exactas - Materia
-
Química
Carbonic anhydrase
Sulfamides
Docking
Molecular dynamic simulations
Inhibition pattern - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-sa/4.0/
- Repositorio
.jpg)
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/128716
Ver los metadatos del registro completo
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Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIVGavernet, LucianaGonzález Funes, José LuisPalestro, Pablo HernánBruno Blanch, Luis EnriqueEstiú, GuillerminaMaresca, AlfonsoBarrios, Ivana AnalíaSupuran, Claudiu T.QuímicaCarbonic anhydraseSulfamidesDockingMolecular dynamic simulationsInhibition patternA 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.Facultad de Ciencias Exactas2012info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf1410-1418http://sedici.unlp.edu.ar/handle/10915/128716enginfo:eu-repo/semantics/altIdentifier/issn/1464-3391info:eu-repo/semantics/altIdentifier/issn/0968-0896info:eu-repo/semantics/altIdentifier/pmid/23266178info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bmc.2012.10.048info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-17T10:13:42Zoai:sedici.unlp.edu.ar:10915/128716Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-17 10:13:42.762SEDICI (UNLP) - Universidad Nacional de La Platafalse |
| dc.title.none.fl_str_mv |
Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV |
| title |
Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV |
| spellingShingle |
Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV Gavernet, Luciana Química Carbonic anhydrase Sulfamides Docking Molecular dynamic simulations Inhibition pattern |
| 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 |
| dc.creator.none.fl_str_mv |
Gavernet, Luciana González Funes, José Luis Palestro, Pablo Hernán Bruno Blanch, Luis Enrique Estiú, Guillermina Maresca, Alfonso Barrios, Ivana Analía Supuran, Claudiu T. |
| author |
Gavernet, Luciana |
| 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_role |
author |
| author2 |
González Funes, José Luis Palestro, Pablo Hernán Bruno Blanch, Luis Enrique Estiú, Guillermina Maresca, Alfonso Barrios, Ivana Analía Supuran, Claudiu T. |
| author2_role |
author author author author author author author |
| dc.subject.none.fl_str_mv |
Química Carbonic anhydrase Sulfamides Docking Molecular dynamic simulations Inhibition pattern |
| topic |
Química Carbonic anhydrase Sulfamides Docking Molecular dynamic simulations Inhibition pattern |
| dc.description.none.fl_txt_mv |
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. Facultad de Ciencias Exactas |
| 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. |
| publishDate |
2012 |
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2012 |
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http://sedici.unlp.edu.ar/handle/10915/128716 |
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eng |
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eng |
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