In the New Medicines for Trypanosomatidic Infections (NMTRypI) project funded by the EU, we have discovered novel anti-leishmania and anti-trypanosoma hits that inhibit pteridine reductase 1 (PTR1). Here, we synthesized compounds with a flavanone scaffold and characterized their antiparasitic activity and ADME-tox properties. Crystal structure determination and computational docking explain differences in their inhibition of PTR1. Two crystal structures of one compound with different PTR1 enzymes provide a basis for further scaffold optimization to develop inhibitors targeting PTR1 enzymes from different parasites. Molecules 2017, 22(3), 426; DOI: 10.3390/molecules22030426
Results in brief from Cordis citations:
A special citation of the EU Commission for the results achieved within the project New Medicines for Trypanosomatidic infections, grant number: 603240.
Invitation by the EU Commission:
The EU Commission invited the Coordinators of the FP7 projects to present the project results at the Satellite Symposium on Neglected Infectious Diseases during the ECTMIH 2017 (European Congress on Tropical Medicine and International Health).