Molecular Docking for the Development of Alternative Therapies against Leishmaniasis

Autores
Guarimata, 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.
Centro de Química Inorgánica
Materia
Química
Leishmania mexicana
topoisomerase
molecular docking; homology modeling
neglected tropical disease
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/185271
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/185271
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Molecular Docking for the Development of Alternative Therapies against LeishmaniasisGuarimata, Juan DiegoAlcívar, ChristianLavecchia, Martín JoséPoveda, AnaQuímicaLeishmania mexicanatopoisomerasemolecular docking; homology modelingneglected tropical diseaseTopoisomerases 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.Centro de Química Inorgánica2023-11-15info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/185271enginfo:eu-repo/semantics/altIdentifier/issn/2673-4583info:eu-repo/semantics/altIdentifier/doi/10.3390/ecsoc-27-16050info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-10-15T11:42:36Zoai:sedici.unlp.edu.ar:10915/185271Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-10-15 11:42:36.737SEDICI (UNLP) - Universidad Nacional de La Platafalse
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, Juan Diego
Química
Leishmania mexicana
topoisomerase
molecular docking; homology modeling
neglected tropical disease
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, Juan Diego
Alcívar, Christian
Lavecchia, Martín José
Poveda, Ana
author Guarimata, Juan Diego
author_facet Guarimata, 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 Química
Leishmania mexicana
topoisomerase
molecular docking; homology modeling
neglected tropical disease
topic Química
Leishmania mexicana
topoisomerase
molecular docking; homology modeling
neglected tropical disease
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.
Centro de Química Inorgánica
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 2023-11-15
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/185271
url http://sedici.unlp.edu.ar/handle/10915/185271
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/2673-4583
info:eu-repo/semantics/altIdentifier/doi/10.3390/ecsoc-27-16050
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.22299

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