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The Scientific World Journal
Volume 2014, Article ID 279618, 9 pages
Research Article

Identification of Levothyroxine Antichagasic Activity through Computer-Aided Drug Repurposing

1Medicinal Chemistry, Department of Biological Sciences, Faculty of Exact Sciences, National University of La Plata, 47 y 115, La Plata (B1900AJI) Buenos Aires, Argentina
2Instituto 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), Argentina
3Instituto 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), Argentina

Received 30 August 2013; Accepted 13 November 2013; Published 30 January 2014

Academic Editors: C. Mackereth, A. Paiardini, and X. Qiu

Copyright © 2014 Carolina L. Bellera et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


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.