Identification of levothyroxine antichagasic activity through computer-aided drug repurposing

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 campai...

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Autores principales: Bellera, Carolina Leticia, Balcazar, Darío E., Alberca, Lucas Nicolás, Labriola, Carlos A., Talevi, Alan, Carrillo, Carolina
Formato: Articulo
Lenguaje:Inglés
Publicado: 2014
Materias:
Ciencias Exactas
Trypanosoma cruzi
Cruzipain
Chagas disease
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/85048
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-85048
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Ciencias Exactas
Trypanosoma cruzi
Cruzipain
Chagas disease
spellingShingle Ciencias Exactas
Trypanosoma cruzi
Cruzipain
Chagas disease
Bellera, Carolina Leticia
Balcazar, Darío E.
Alberca, Lucas Nicolás
Labriola, Carlos A.
Talevi, Alan
Carrillo, Carolina
Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
topic_facet Ciencias Exactas
Trypanosoma cruzi
Cruzipain
Chagas disease
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.
format Articulo
Articulo
author Bellera, Carolina Leticia
Balcazar, Darío E.
Alberca, Lucas Nicolás
Labriola, Carlos A.
Talevi, Alan
Carrillo, Carolina
author_facet Bellera, Carolina Leticia
Balcazar, Darío E.
Alberca, Lucas Nicolás
Labriola, Carlos A.
Talevi, Alan
Carrillo, Carolina
author_sort Bellera, Carolina Leticia
title Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
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
publishDate 2014
url http://sedici.unlp.edu.ar/handle/10915/85048
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