Identification of levothyroxine antichagasic activity through computer-aided drug repurposing

Autores
Bellera, Carolina Leticia; Balcazar, Darío E.; Alberca, Lucas Nicolás; Labriola, Carlos A.; Talevi, Alan; Carrillo, Carolina
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Cruzipain (Cz) is the major cysteine protease of the protozoan Trypanosoma cruzi, etiological agent of Chagas disease. A conformation-independent classifier capable of identifying Cz inhibitors was derived from a 163-compound dataset and later applied in a virtual screening campaign on the DrugBank database, which compiles FDA-approved and investigational drugs. 54 approved drugs were selected as candidates, 3 of which were acquired and tested on Cz and T. cruzi epimastigotes proliferation. Among them, levothyroxine, traditionally used in hormone replacement therapy in patients with hypothyroidism, showed dose-dependent inhibition of Cz and antiproliferative activity on the parasite.
Facultad de Ciencias Exactas
Materia
Ciencias Exactas
Trypanosoma cruzi
Cruzipain
Chagas disease
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/85048
Acceder
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network_name_str SEDICI (UNLP)
spelling Identification of levothyroxine antichagasic activity through computer-aided drug repurposingBellera, Carolina LeticiaBalcazar, Darío E.Alberca, Lucas NicolásLabriola, Carlos A.Talevi, AlanCarrillo, CarolinaCiencias ExactasTrypanosoma cruziCruzipainChagas diseaseCruzipain (Cz) is the major cysteine protease of the protozoan <i>Trypanosoma cruzi</i>, etiological agent of Chagas disease. A conformation-independent classifier capable of identifying Cz inhibitors was derived from a 163-compound dataset and later applied in a virtual screening campaign on the DrugBank database, which compiles FDA-approved and investigational drugs. 54 approved drugs were selected as candidates, 3 of which were acquired and tested on Cz and <i>T. cruzi</i> epimastigotes proliferation. Among them, levothyroxine, traditionally used in hormone replacement therapy in patients with hypothyroidism, showed dose-dependent inhibition of Cz and antiproliferative activity on the parasite.Facultad de Ciencias Exactas2014info: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/10915/85048enginfo:eu-repo/semantics/altIdentifier/issn/1537-744Xinfo:eu-repo/semantics/altIdentifier/doi/10.1155/2014/279618info: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:UNLP2025-09-29T11:16:21Zoai:sedici.unlp.edu.ar:10915/85048Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:16:21.346SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
title Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
spellingShingle Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
Bellera, Carolina Leticia
Ciencias Exactas
Trypanosoma cruzi
Cruzipain
Chagas disease
title_short Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
title_full Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
title_fullStr Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
title_full_unstemmed Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
title_sort Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
dc.creator.none.fl_str_mv Bellera, Carolina Leticia
Balcazar, Darío E.
Alberca, Lucas Nicolás
Labriola, Carlos A.
Talevi, Alan
Carrillo, Carolina
author Bellera, Carolina Leticia
author_facet Bellera, Carolina Leticia
Balcazar, Darío E.
Alberca, Lucas Nicolás
Labriola, Carlos A.
Talevi, Alan
Carrillo, Carolina
author_role author
author2 Balcazar, Darío E.
Alberca, Lucas Nicolás
Labriola, Carlos A.
Talevi, Alan
Carrillo, Carolina
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Trypanosoma cruzi
Cruzipain
Chagas disease
topic Ciencias Exactas
Trypanosoma cruzi
Cruzipain
Chagas disease
dc.description.none.fl_txt_mv Cruzipain (Cz) is the major cysteine protease of the protozoan <i>Trypanosoma cruzi</i>, etiological agent of Chagas disease. A conformation-independent classifier capable of identifying Cz inhibitors was derived from a 163-compound dataset and later applied in a virtual screening campaign on the DrugBank database, which compiles FDA-approved and investigational drugs. 54 approved drugs were selected as candidates, 3 of which were acquired and tested on Cz and <i>T. cruzi</i> epimastigotes proliferation. Among them, levothyroxine, traditionally used in hormone replacement therapy in patients with hypothyroidism, showed dose-dependent inhibition of Cz and antiproliferative activity on the parasite.
Facultad de Ciencias Exactas
description Cruzipain (Cz) is the major cysteine protease of the protozoan <i>Trypanosoma cruzi</i>, etiological agent of Chagas disease. A conformation-independent classifier capable of identifying Cz inhibitors was derived from a 163-compound dataset and later applied in a virtual screening campaign on the DrugBank database, which compiles FDA-approved and investigational drugs. 54 approved drugs were selected as candidates, 3 of which were acquired and tested on Cz and <i>T. cruzi</i> epimastigotes proliferation. Among them, levothyroxine, traditionally used in hormone replacement therapy in patients with hypothyroidism, showed dose-dependent inhibition of Cz and antiproliferative activity on the parasite.
publishDate 2014
dc.date.none.fl_str_mv 2014
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/10915/85048
url http://sedici.unlp.edu.ar/handle/10915/85048
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/1537-744X
info:eu-repo/semantics/altIdentifier/doi/10.1155/2014/279618
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 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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