Crystallographic and receptor binding characterization of Plasmodium falciparum macrophage migration inhibitory factor complexed to two potent inhibitors

J Med Chem. 2014 Oct 23;57(20):8652-6. doi: 10.1021/jm501168q. Epub 2014 Oct 8.

Abstract

We report the crystal structures of two inhibitors of Plasmodium falciparum macrophage migration inhibitory factor (PfMIF) with nanomolar Ki's, analyze their interactions with the active site of PfMIF, and provide explanations regarding their selectivity of PfMIF versus human MIF. These inhibitors were also found to selectively inhibit interactions between PfMIF and the human MIF receptor CD74. The results of this study provide the framework for the development of new therapeutics that target PfMIF.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Antigens, Differentiation, B-Lymphocyte / metabolism
  • Antimalarials / chemistry
  • Antimalarials / pharmacology
  • Catalytic Domain
  • Crystallography, X-Ray
  • Histocompatibility Antigens Class II / metabolism
  • Humans
  • Intramolecular Oxidoreductases / chemistry
  • Intramolecular Oxidoreductases / metabolism
  • Macrophage Migration-Inhibitory Factors / antagonists & inhibitors*
  • Macrophage Migration-Inhibitory Factors / chemistry*
  • Macrophage Migration-Inhibitory Factors / metabolism
  • Models, Molecular
  • Protein Stability
  • Protozoan Proteins / antagonists & inhibitors*
  • Protozoan Proteins / chemistry*
  • Protozoan Proteins / metabolism

Substances

  • Antigens, Differentiation, B-Lymphocyte
  • Antimalarials
  • Histocompatibility Antigens Class II
  • Macrophage Migration-Inhibitory Factors
  • Protozoan Proteins
  • invariant chain
  • macrophage-migration inhibitory factor, Plasmodium falciparum
  • Intramolecular Oxidoreductases
  • MIF protein, human

Associated data

  • PDB/4P7M
  • PDB/4P7S