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A Novel Triose Phosphate Isomerase Inhibitor With Dual Trypanosomicidal Activity was Identified Using Artificial

Elena Aguilera1, Rachel Ramos2, Aram Davtyan3

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|April 26, 2026
PubMed
Summary

New drug candidates show promise for treating neglected protozoan diseases like Chagas disease and leishmaniasis. Researchers identified compounds targeting the triosephosphate isomerase (TIM) enzyme, offering potential new therapeutic avenues.

Keywords:
anti‐trypanosomal activitytriosephosphate isomerasevirtual screening

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Area of Science:

  • Biochemistry
  • Drug Discovery
  • Parasitology

Background:

  • Chagas disease and leishmaniasis are neglected protozoan diseases with significant global health impact.
  • Current treatments for these diseases are limited and often toxic.
  • Triosephosphate isomerase (TIM) is a crucial enzyme in parasite metabolism and a potential drug target.

Purpose of the Study:

  • To identify novel small molecules that inhibit Trypanosoma cruzi and Leishmania infantum triosephosphate isomerase (TIM).
  • To evaluate the anti-parasitic activity and drug-like properties of identified inhibitors.

Main Methods:

  • Virtual screening of 12.5 million compounds using a deep neural network for structure-based drug design.
  • In vitro evaluation of selected compounds for TIM inhibition and anti-parasitic activity.
  • Assessment of compound selectivity and toxicological profiles.

Main Results:

  • Six compounds inhibited TIM from Trypanosoma cruzi, with three showing anti-T. cruzi activity.
  • Eight compounds demonstrated activity against both T. cruzi and Leishmania infantum.
  • Two compounds exhibited potent activity against both parasites, with favorable selectivity and toxicological profiles.

Conclusions:

  • The identified compounds represent promising leads for the development of new drugs against Chagas disease and leishmaniasis.
  • Targeting parasite TIM is a viable strategy for anti-parasitic drug discovery.
  • Further development of these compounds could lead to effective treatments for these neglected diseases.