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Identification of levothyroxine antichagasic activity through computer-aided drug repurposing.

ABSTRACT: 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.

SUBMITTER: Bellera CL

PROVIDER: S-EPMC3926237 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature

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Identification of levothyroxine antichagasic activity through computer-aided drug repurposing.

Bellera Carolina L CL Balcazar Darío E DE Alberca Lucas L Labriola Carlos A CA Talevi Alan A Carrillo Carolina C

TheScientificWorldJournal 20140130

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. Amon ...[more]

PMID: 24592161

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