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.