COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS

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The cytochrome P450 14alpha-sterol demethylase is an enzyme of the Mycobacterium tuberculosis (MT) that by redundancy of its gene that codifies it in the genome of MT should have preponderant rolls for the survival of the pathogen. Using the published models of the structure 3D of this enzyme, we ev...

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Detalles Bibliográficos
Autor: Solís C., Christian
Formato: artículo
Fecha de Publicación:2004
Institución:Universidad Nacional Mayor de San Marcos
Repositorio:Revistas - Universidad Nacional Mayor de San Marcos
Lenguaje:español
OAI Identifier:oai:ojs.csi.unmsm:article/4790
Enlace del recurso:https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4790
Nivel de acceso:acceso abierto
Materia:Cyp450-Esterol 14-Desmetilasa
Mycobacterium tuberculosis
docking
bioinformática
Docking
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spelling COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSISESTUDIO COMPUTACIONAL DE LA INTERACCIÓN LIGANDO- RECEPTOR EN LA CYP450-ESTEROL 14- DESMETILASA DE MYCOBACTERIUM TUBERCULOSISSolís C., ChristianCyp450-Esterol 14-DesmetilasaMycobacterium tuberculosisdockingbioinformáticaCyp450-Esterol 14-DesmetilasaMycobacterium tuberculosisDockingbioinformáticaThe cytochrome P450 14alpha-sterol demethylase is an enzyme of the Mycobacterium tuberculosis (MT) that by redundancy of its gene that codifies it in the genome of MT should have preponderant rolls for the survival of the pathogen. Using the published models of the structure 3D of this enzyme, we evaluated by «docking» computational method interaction of this protein to ligands of azole type, those that were modeled by geometric optimization and present values of LogP up to 4,9, which indicates their extreme lipophilicity, being observed with clotrimazole the best values for its docking with the protein.La Cyp450-Esterol 14-Desmetilasa es una enzima del Mycobacterium tuberculosis (MT) que, por la redundancia del gen que la codifica en el genoma del MT, debe cumplir roles preponderantes para la supervivencia del patógeno. Usando los modelos publicados de la estructura 3D de esta enzima se evaluó computacionalmente por el método de Docking la interacción de esta proteína a ligandos del tipo azol, los que fueron modelados por optimización geométrica y presentan valores de LogP superiores a 4.9, lo que indica su extrema lipoficidad, observándose con el clotrimazol los mejores valores para su «docking» con la proteína.Universidad Nacional Mayor de San Marcos2004-12-31info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4790Revista Peruana de Química e Ingeniería Química; Vol. 7 No. 2 (2004); 45-49Revista Peruana de Química e Ingeniería Química; Vol. 7 Núm. 2 (2004); 45-491609-75991726-2208reponame:Revistas - Universidad Nacional Mayor de San Marcosinstname:Universidad Nacional Mayor de San Marcosinstacron:UNMSMspahttps://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4790/3863Derechos de autor 2004 Christian Solís C.https://creativecommons.org/licenses/by-nc-sa/4.0info:eu-repo/semantics/openAccessoai:ojs.csi.unmsm:article/47902020-05-10T13:06:41Z
dc.title.none.fl_str_mv COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS
ESTUDIO COMPUTACIONAL DE LA INTERACCIÓN LIGANDO- RECEPTOR EN LA CYP450-ESTEROL 14- DESMETILASA DE MYCOBACTERIUM TUBERCULOSIS
title COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS
spellingShingle COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS
Solís C., Christian
Cyp450-Esterol 14-Desmetilasa
Mycobacterium tuberculosis
docking
bioinformática
Cyp450-Esterol 14-Desmetilasa
Mycobacterium tuberculosis
Docking
bioinformática
title_short COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS
title_full COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS
title_fullStr COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS
title_full_unstemmed COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS
title_sort COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS
dc.creator.none.fl_str_mv Solís C., Christian
author Solís C., Christian
author_facet Solís C., Christian
author_role author
dc.subject.none.fl_str_mv Cyp450-Esterol 14-Desmetilasa
Mycobacterium tuberculosis
docking
bioinformática
Cyp450-Esterol 14-Desmetilasa
Mycobacterium tuberculosis
Docking
bioinformática
topic Cyp450-Esterol 14-Desmetilasa
Mycobacterium tuberculosis
docking
bioinformática
Cyp450-Esterol 14-Desmetilasa
Mycobacterium tuberculosis
Docking
bioinformática
description The cytochrome P450 14alpha-sterol demethylase is an enzyme of the Mycobacterium tuberculosis (MT) that by redundancy of its gene that codifies it in the genome of MT should have preponderant rolls for the survival of the pathogen. Using the published models of the structure 3D of this enzyme, we evaluated by «docking» computational method interaction of this protein to ligands of azole type, those that were modeled by geometric optimization and present values of LogP up to 4,9, which indicates their extreme lipophilicity, being observed with clotrimazole the best values for its docking with the protein.
publishDate 2004
dc.date.none.fl_str_mv 2004-12-31
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4790
url https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4790
dc.language.none.fl_str_mv spa
language spa
dc.relation.none.fl_str_mv https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4790/3863
dc.rights.none.fl_str_mv Derechos de autor 2004 Christian Solís C.
https://creativecommons.org/licenses/by-nc-sa/4.0
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Derechos de autor 2004 Christian Solís C.
https://creativecommons.org/licenses/by-nc-sa/4.0
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Universidad Nacional Mayor de San Marcos
publisher.none.fl_str_mv Universidad Nacional Mayor de San Marcos
dc.source.none.fl_str_mv Revista Peruana de Química e Ingeniería Química; Vol. 7 No. 2 (2004); 45-49
Revista Peruana de Química e Ingeniería Química; Vol. 7 Núm. 2 (2004); 45-49
1609-7599
1726-2208
reponame:Revistas - Universidad Nacional Mayor de San Marcos
instname:Universidad Nacional Mayor de San Marcos
instacron:UNMSM
instname_str Universidad Nacional Mayor de San Marcos
instacron_str UNMSM
institution UNMSM
reponame_str Revistas - Universidad Nacional Mayor de San Marcos
collection Revistas - Universidad Nacional Mayor de San Marcos
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 13.888049
COMPUTATIONAL STUDY OF THE INTERACTION IN LIGAND-RECEPTOR CYP450-ESTEROL 14 - DEMETHYLASE MYCOBACTERIUM TUBERCULOSIS
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