Spiroadamantyl 1,2,4-trioxolane, 1,2,4-trioxane, and 1,2,4-trioxepane pairs: relationship between peroxide bond iron(II) reactivity, heme alkylation efficiency, and antimalarial activity

Bioorg Med Chem Lett. 2009 Aug 15;19(16):4542-5. doi: 10.1016/j.bmcl.2009.07.013. Epub 2009 Jul 9.

Abstract

These data suggest that iron(II) reactivity for a set of homologous spiroadamantyl 1,2,4-trioxolane, 1,2,4-trioxane, and 1,2,4-trioxepane peroxide heterocycles is a necessary, but insufficient, property of animalarial peroxides. Heme alkylation efficiency appears to give a more accurate prediction of antimalarial activity than FeSO(4)-mediated reaction rates, suggesting that antimalarial activity is not merely dependent on peroxide bond cleavage, but also on the ability of reactive intermediates to alkylate heme or other proximal targets.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkylation
  • Animals
  • Antimalarials / chemical synthesis
  • Antimalarials / chemistry*
  • Antimalarials / pharmacology
  • Computer Simulation
  • Ferric Compounds / chemistry
  • Ferrous Compounds / chemistry*
  • Heme / chemistry*
  • Heterocyclic Compounds / chemistry*
  • Mice
  • Parasitic Sensitivity Tests
  • Peroxides / chemistry*

Substances

  • 1,2,4-trioxane
  • Antimalarials
  • Ferric Compounds
  • Ferrous Compounds
  • Heterocyclic Compounds
  • Peroxides
  • ferric sulfate
  • Heme