Tetraoxane-pyrimidine nitrile hybrids as dual stage antimalarials

J Med Chem. 2014 Jun 12;57(11):4916-23. doi: 10.1021/jm5004528. Epub 2014 May 22.

Abstract

The use of artemisinin or other endoperoxides in combination with other drugs is a strategy to prevent development of resistant strains of Plasmodium parasites. Our previous work demonstrated that hybrid compounds, comprising endoperoxides and vinyl sulfones, were capable of high activity profiles comparable to artemisinin and chloroquine while acting through two distinct mechanisms of action: oxidative stress and falcipain inhibition. In this study, we adapted this approach to a novel class of falcipain inhibitors: peptidomimetic pyrimidine nitriles. Pyrimidine tetraoxane hybrids displayed potent nanomolar activity against three strains of Plasmodium falciparum and falcipain-2, combined with low cytotoxicity. In vivo, a decrease in parasitemia and an increase in survival of mice infected with Plasmodium berghei was observed when compared to control. All tested compounds combined good blood stage activity with significant effects on liver stage parasitemia, a most welcome feature for any new class of antimalarial drug.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Antimalarials / chemical synthesis*
  • Antimalarials / chemistry
  • Antimalarials / pharmacology
  • Cell Line
  • Cysteine Endopeptidases / metabolism
  • Cysteine Proteinase Inhibitors / chemical synthesis
  • Cysteine Proteinase Inhibitors / chemistry
  • Cysteine Proteinase Inhibitors / pharmacology
  • Humans
  • Malaria / drug therapy
  • Mice, Inbred C57BL
  • Molecular Docking Simulation
  • Nitriles / chemical synthesis*
  • Nitriles / chemistry
  • Nitriles / pharmacology
  • Oxidative Stress
  • Peptidomimetics / chemical synthesis*
  • Peptidomimetics / chemistry
  • Peptidomimetics / pharmacology
  • Plasmodium berghei
  • Plasmodium falciparum / drug effects
  • Pyrimidines / chemical synthesis*
  • Pyrimidines / chemistry
  • Pyrimidines / pharmacology
  • Structure-Activity Relationship
  • Tetraoxanes / chemical synthesis*
  • Tetraoxanes / chemistry
  • Tetraoxanes / pharmacology

Substances

  • Antimalarials
  • Cysteine Proteinase Inhibitors
  • Nitriles
  • Peptidomimetics
  • Pyrimidines
  • Tetraoxanes
  • Cysteine Endopeptidases
  • falcipain 2