Table of Contents
Molecules, Volume 22, Issue 3 (March 2017)
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Cover Story (view full-size image) In the New Medicines for Trypanosomatidic Infections (NMTRypI) project funded by the EU, we have [...] Read more. 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. View this paper.