10.1021/ci400284v.s002 Carolina L. Bellera Carolina L. Bellera Darío E. Balcazar Darío E. Balcazar Lucas Alberca Lucas Alberca Carlos A. Labriola Carlos A. Labriola Alan Talevi Alan Talevi Carolina Carrillo Carolina Carrillo Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects American Chemical Society 2013 antiarrhythmic amiodarone Chagas disease cruzi epimastigotes Trypanosoma cruzi etiological agent Bromocriptine Inhibitory EffectsCruzipain 163 compound data DrugBank database antidiabetic drug bromocriptine Cz inhibitors cystein protease antiproliferative activity New Cruzipain Inhibitors screening campaign 2013-09-23 00:00:00 Journal contribution https://acs.figshare.com/articles/journal_contribution/Application_of_Computer_Aided_Drug_Repurposing_in_the_Search_of_New_Cruzipain_Inhibitors_Discovery_of_Amiodarone_and_Bromocriptine_Inhibitory_Effects/2374243 Cruzipain (Cz) is the major cystein protease of the protozoan Trypanosoma cruzi, etiological agent of Chagas disease. From a 163 compound data set, a 2D-classifier capable of identifying Cz inhibitors was obtained and applied in a virtual screening campaign on the DrugBank database, which compiles FDA-approved and investigational drugs. Fifty-four approved drugs were selected as candidates, four of which were acquired and tested on Cz and <i>T. cruzi</i> epimastigotes. Among them, the antiparkinsonian and antidiabetic drug bromocriptine and the antiarrhythmic amiodarone showed dose-dependent inhibition of Cz and antiproliferative activity on the parasite.