Introduction:

Chagas disease is endemic to the tropical areas of Latin America and has an important prevalence, however, there are few treatments available in the market, so the search for molecules with pharmacological potential that can act in the same way as the disease, it is necessary considering the serious complications.

Aim:

to evaluate the possible target proteins available in the PDB database, considering the similarity with human proteins as an initial parameter and identify potential inhibitors of the chosen target using molecular docking.

Methodology:

an evaluation of the parasite proteins was carried out by means of sequence alignment and subsequently a virtual molecular coupling screening was performed with databases and computer resources available at Centro de Cómputo Avanzado de Universidad de Texas (TACC), and the best results were evaluated based on affinity, pharmacokinetics, and toxicity.

Results:

the molecular target chosen was the dUTPase. After virtual screening, 12 moles showing inhibitory potential were selected of these, 4- {3-[3- (trifluoromethyl) phenyl] isoxazole-5-yl} pyrimidine-2-amine is one of the molecules with the best profile to become a candidate in the treatment of Chagas disease.