The main objective of this research was to identify potential inhibitors of the trypanothione reductase protein of Trypanosoma cruzi. This protein was selected due to its importance in the survival of the parasite and that it fully meets the criteria to be a pharmacological target . The work was based on a combinatorial chemoinformatics methodology, following the screening process as shown in Figure . The first stage consisted of a structural study based on the analogy of nifurtimox for the construction of a 300-molecule chemo library with furan nucleus. The chemotherapy library was analyzed on the PASS-Way2drug online server. Table shows the results of the pharmacological activity of the molecules under study as antiprotozoal on the Trypanosoma gender, with nifurtimox as the reference drug. The inclusion criterion for the first filtration was that the molecules presented probability of activity ≥ 0.500 (scale 1.000 is equal to 100%). Of the 300 molecules only 67 met this parameter and 14 had a higher probability of biological activity compared to nifurtimox. Also, the SMILE chains (simplified molecular linear introduction specification) of the 67 molecules selected from the first virtual screening are reported in Table . These specifications support us to correctly describe the structure of a molecule using linear notation or ASCII strings. In addition, it is a general format that can be imported by molecular editors to obtain two-dimensional, three-dimensional and molecular property structures .