Identification of Levothyroxine Antichagasic Activity through Computer-Aided Drug Repurposing
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...
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| Format: | Article |
| Language: | English |
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Wiley
2014-01-01
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| Series: | The Scientific World Journal |
| Online Access: | http://dx.doi.org/10.1155/2014/279618 |
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| author | Carolina L. Bellera Darío E. Balcazar Lucas Alberca Carlos A. Labriola Alan Talevi Carolina Carrillo |
| author_facet | Carolina L. Bellera Darío E. Balcazar Lucas Alberca Carlos A. Labriola Alan Talevi Carolina Carrillo |
| author_sort | Carolina L. Bellera |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-dd74080a524944d99f481207500702e3 |
| institution | Kabale University |
| issn | 2356-6140 1537-744X |
| language | English |
| publishDate | 2014-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | The Scientific World Journal |
| spelling | doaj-art-dd74080a524944d99f481207500702e32025-02-03T05:48:17ZengWileyThe Scientific World Journal2356-61401537-744X2014-01-01201410.1155/2014/279618279618Identification of Levothyroxine Antichagasic Activity through Computer-Aided Drug RepurposingCarolina L. Bellera0Darío E. Balcazar1Lucas Alberca2Carlos A. Labriola3Alan Talevi4Carolina Carrillo5Medicinal Chemistry, Department of Biological Sciences, Faculty of Exact Sciences, National University of La Plata, 47 y 115, La Plata (B1900AJI) Buenos Aires, ArgentinaInstituto de Ciencia y Tecnología Dr. César Milstein (ICT Milstein), Argentinean National Council of Scientific and Technical Research (CONICET), Saladillo 2468, Ciudad Autónoma de Buenos Aires (C1440FFX), ArgentinaMedicinal Chemistry, Department of Biological Sciences, Faculty of Exact Sciences, National University of La Plata, 47 y 115, La Plata (B1900AJI) Buenos Aires, ArgentinaInstituto de Investigaciones Bioquímicas de Buenos Aires, Argentinean National Council of Scientific and Technical Research (CONICET), Avenida Patricias Argentinas 435, Ciudad Autónoma de Buenos Aires (C1405BWE), ArgentinaMedicinal Chemistry, Department of Biological Sciences, Faculty of Exact Sciences, National University of La Plata, 47 y 115, La Plata (B1900AJI) Buenos Aires, ArgentinaInstituto de Ciencia y Tecnología Dr. César Milstein (ICT Milstein), Argentinean National Council of Scientific and Technical Research (CONICET), Saladillo 2468, Ciudad Autónoma de Buenos Aires (C1440FFX), ArgentinaCruzipain (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.http://dx.doi.org/10.1155/2014/279618 |
| spellingShingle | Carolina L. Bellera Darío E. Balcazar Lucas Alberca Carlos A. Labriola Alan Talevi Carolina Carrillo Identification of Levothyroxine Antichagasic Activity through Computer-Aided Drug Repurposing The Scientific World Journal |
| title | 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_short | Identification of Levothyroxine Antichagasic Activity through Computer-Aided Drug Repurposing |
| title_sort | identification of levothyroxine antichagasic activity through computer aided drug repurposing |
| url | http://dx.doi.org/10.1155/2014/279618 |
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