X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17

Proteins. 2015 Apr;83(4):789-95. doi: 10.1002/prot.24771. Epub 2015 Feb 28.

Abstract

New anti-malarial treatments are desperately required to face the spread of drug resistant parasites. Inhibition of metalloaminopeptidases, PfA-M1 and PfA-M17, is a validated therapeutic strategy for treatment of Plasmodium falciparum malaria. Here, we describe the crystal structures of PfA-M1 and PfA-M17 bound to chemotherapeutic agent Tosedostat. The inhibitor occupies the enzymes' putative product egress channels in addition to the substrate binding pockets; however, adopts different binding poses when bound to PfA-M1 and PfA-M17. These findings will be valuable for the continued development of selective inhibitors of PfA-M1 and PfA-M17.

Keywords: Plasmodium falciparum; Tosedostat; inhibitors; malaria; protease; structural biology.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Aminopeptidases / antagonists & inhibitors
  • Antimalarials / chemistry*
  • Antimalarials / metabolism
  • Binding Sites
  • Crystallography, X-Ray
  • Glycine / analogs & derivatives*
  • Glycine / chemistry
  • Glycine / metabolism
  • Hydroxamic Acids / chemistry*
  • Hydroxamic Acids / metabolism
  • Models, Molecular
  • Plasmodium falciparum*
  • Protozoan Proteins / chemistry*
  • Protozoan Proteins / metabolism

Substances

  • Antimalarials
  • Hydroxamic Acids
  • Protozoan Proteins
  • Aminopeptidases
  • tosedostat
  • Glycine