INVESTIGADORES
CARRILLO carolina
artículos
Título:
Application of computer-aided drug repurposing in the search of new cruzipain inhibitors: discovery of amiodarone and bromocriptine inhibitory effects
Autor/es:
BELLERA CL; BALCAZAR DE; ALBERCA L; LABRIOLA CA; TALEVI A; CARRILLO C
Revista:
JOURNAL OF CHEMICAL INFORMATION AND MODELING
Editorial:
AMER CHEMICAL SOC
Referencias:
Lugar: Washington; Año: 2013 vol. 53 p. 2402 - 2408
ISSN:
1549-9596
Resumen:
ABSTRACT: Cruzipain (Cz) is the major cystein protease of the protozoan Trypanosoma cruzi, etiological agent of Chagas disease. From a 163-compound dataset, 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. 54 approved drugs were selected as candidates, 4 of which were acquired and tested on Cz and T. cruzi 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.