<P>Background: American trypanosomiasis, also known as Chagas disease, is caused by
the protozoan Trypanosoma cruzi (T. cruzi) and affects approximately 10 to 12 million, primarily
in Latin America. Since its discovery in 1909, there is no effective treatment for its chronic phase,
with benzonidazole being the only anti-trypanosoma drug used in Brazil, despite the absence of
conclusive evidence to prove its efficacy and safety. Thus, it is necessary to develop new drugs that
are more effective and selective against Trypanosoma cruzi.
</P><P>
Methods: The T. cruzi enzyme Trypanothione Reductase (TcTR) is a validated target for the discovery
of new antiprotozoal compounds and we employed the Virtual Screening technique on the
database of Nucleus of Bioassays, Biosynthesis and Ecophysiology (NuBBE), aiming to search for
new chemical moieties against T. cruzi. From these we selected the 10 best ligand energies interactions
and verified their interaction profile with the main TcTR sites through the AuPosSOM server
(https://www.biomedicale.univ-paris5.fr/aupossom).
</P><P>
Results and Conclusion: Finally, we analyzed some pharmacokinetics and toxicological information
through the servers Aggregator Advisor (http://advisor.bkslab.org), Pred-hERG 4.0
(http://labmol.com.br/predherg) and pkCSM (http://biosig.unimelb.edu.au/pkcsm/prediction) which
we expect will be useful in in vitro preclinical trials.</P>
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