Besides, we performed a molecular docking study of both conformers in the sterol 14α-demethylase CYP51 enzyme demonstrating that BZN1 has the best pose, suggesting not only the benznidazole mode of action at the proteic level, but also a smaller pharmacological activity of the BZN2 conformation (in comparison to BZN1) with respect to their role as an anti-fungal azole inhibitor of CYP51 for the treatment of Chagas disease [13]. This evidence concerns the gene CYP51A1 and Chagas disease.