Molecular Docking for the Development of Alternative Therapies against Leishmaniasis

Autores
Guarimata Salinas, Juan Diego; Alcívar, Christian; Lavecchia, Martín José; Poveda, Ana
Año de publicación
2023
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Topoisomerases play a pivotal role in regulating the topological structure of DNA during fundamental processes such as transcription, DNA repair, or DNA replication; because of this, topoisomerases are biological targets in pathogenic microorganisms or malignant cells. In this study, we aimed to identify potential inhibitory compounds against topoisomerases type II of Leishmania mexicana via homology model and molecular docking. A comprehensive screening of 400 compounds provided by Medicines for Malaria Venture (MMV) in the Pandemic Response Box. Here, we identify the 20 best compounds against each topoisomerase type II of L. mexicana to identify new alternatives to treat a neglected tropical disease such as leishmaniasis
Fil: Guarimata Salinas, Juan Diego. Universidad Central del Ecuador; Ecuador
Fil: Alcívar, Christian. Universidad Central del Ecuador; Ecuador
Fil: Lavecchia, Martín José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Poveda, Ana. Universidad Central del Ecuador; Ecuador
Materia
Leishmania mexicana
topoisomerase
molecular docking
homology modeling
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/248561
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Molecular Docking for the Development of Alternative Therapies against LeishmaniasisGuarimata Salinas, Juan DiegoAlcívar, ChristianLavecchia, Martín JoséPoveda, AnaLeishmania mexicanatopoisomerasemolecular dockinghomology modelinghttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Topoisomerases play a pivotal role in regulating the topological structure of DNA during fundamental processes such as transcription, DNA repair, or DNA replication; because of this, topoisomerases are biological targets in pathogenic microorganisms or malignant cells. In this study, we aimed to identify potential inhibitory compounds against topoisomerases type II of Leishmania mexicana via homology model and molecular docking. A comprehensive screening of 400 compounds provided by Medicines for Malaria Venture (MMV) in the Pandemic Response Box. Here, we identify the 20 best compounds against each topoisomerase type II of L. mexicana to identify new alternatives to treat a neglected tropical disease such as leishmaniasisFil: Guarimata Salinas, Juan Diego. Universidad Central del Ecuador; EcuadorFil: Alcívar, Christian. Universidad Central del Ecuador; EcuadorFil: Lavecchia, Martín José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Poveda, Ana. Universidad Central del Ecuador; EcuadorMDPI2023-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/248561Guarimata Salinas, Juan Diego; Alcívar, Christian; Lavecchia, Martín José; Poveda, Ana; Molecular Docking for the Development of Alternative Therapies against Leishmaniasis; MDPI; Chemistry Proceedings; 14; 1; 11-2023; 1-72673-4583CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.mdpi.com/2673-4583/14/1/82info:eu-repo/semantics/altIdentifier/doi/10.3390/ecsoc-27-16050info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:46:48Zoai:ri.conicet.gov.ar:11336/248561instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:46:48.908CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Molecular Docking for the Development of Alternative Therapies against Leishmaniasis
title Molecular Docking for the Development of Alternative Therapies against Leishmaniasis
spellingShingle Molecular Docking for the Development of Alternative Therapies against Leishmaniasis
Guarimata Salinas, Juan Diego
Leishmania mexicana
topoisomerase
molecular docking
homology modeling
title_short Molecular Docking for the Development of Alternative Therapies against Leishmaniasis
title_full Molecular Docking for the Development of Alternative Therapies against Leishmaniasis
title_fullStr Molecular Docking for the Development of Alternative Therapies against Leishmaniasis
title_full_unstemmed Molecular Docking for the Development of Alternative Therapies against Leishmaniasis
title_sort Molecular Docking for the Development of Alternative Therapies against Leishmaniasis
dc.creator.none.fl_str_mv Guarimata Salinas, Juan Diego
Alcívar, Christian
Lavecchia, Martín José
Poveda, Ana
author Guarimata Salinas, Juan Diego
author_facet Guarimata Salinas, Juan Diego
Alcívar, Christian
Lavecchia, Martín José
Poveda, Ana
author_role author
author2 Alcívar, Christian
Lavecchia, Martín José
Poveda, Ana
author2_role author
author
author
dc.subject.none.fl_str_mv Leishmania mexicana
topoisomerase
molecular docking
homology modeling
topic Leishmania mexicana
topoisomerase
molecular docking
homology modeling
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Topoisomerases play a pivotal role in regulating the topological structure of DNA during fundamental processes such as transcription, DNA repair, or DNA replication; because of this, topoisomerases are biological targets in pathogenic microorganisms or malignant cells. In this study, we aimed to identify potential inhibitory compounds against topoisomerases type II of Leishmania mexicana via homology model and molecular docking. A comprehensive screening of 400 compounds provided by Medicines for Malaria Venture (MMV) in the Pandemic Response Box. Here, we identify the 20 best compounds against each topoisomerase type II of L. mexicana to identify new alternatives to treat a neglected tropical disease such as leishmaniasis
Fil: Guarimata Salinas, Juan Diego. Universidad Central del Ecuador; Ecuador
Fil: Alcívar, Christian. Universidad Central del Ecuador; Ecuador
Fil: Lavecchia, Martín José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Poveda, Ana. Universidad Central del Ecuador; Ecuador
description Topoisomerases play a pivotal role in regulating the topological structure of DNA during fundamental processes such as transcription, DNA repair, or DNA replication; because of this, topoisomerases are biological targets in pathogenic microorganisms or malignant cells. In this study, we aimed to identify potential inhibitory compounds against topoisomerases type II of Leishmania mexicana via homology model and molecular docking. A comprehensive screening of 400 compounds provided by Medicines for Malaria Venture (MMV) in the Pandemic Response Box. Here, we identify the 20 best compounds against each topoisomerase type II of L. mexicana to identify new alternatives to treat a neglected tropical disease such as leishmaniasis
publishDate 2023
dc.date.none.fl_str_mv 2023-11
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/248561
Guarimata Salinas, Juan Diego; Alcívar, Christian; Lavecchia, Martín José; Poveda, Ana; Molecular Docking for the Development of Alternative Therapies against Leishmaniasis; MDPI; Chemistry Proceedings; 14; 1; 11-2023; 1-7
2673-4583
CONICET Digital
CONICET
url http://hdl.handle.net/11336/248561
identifier_str_mv Guarimata Salinas, Juan Diego; Alcívar, Christian; Lavecchia, Martín José; Poveda, Ana; Molecular Docking for the Development of Alternative Therapies against Leishmaniasis; MDPI; Chemistry Proceedings; 14; 1; 11-2023; 1-7
2673-4583
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.mdpi.com/2673-4583/14/1/82
info:eu-repo/semantics/altIdentifier/doi/10.3390/ecsoc-27-16050
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv MDPI
publisher.none.fl_str_mv MDPI
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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