Discovery and biochemical characterization of Plasmodium thioredoxin reductase inhibitors from an antimalarial set

Biochemistry. 2012 Jun 12;51(23):4764-71. doi: 10.1021/bi3005076. Epub 2012 Jun 1.

Abstract

Plasmodium falciparum is the most prevalent and deadly species of the human malaria parasites, and thioredoxin reductase (TrxR) is an enzyme involved in the redox response to oxidative stress. Essential for P. falciparum survival, the enzyme has been highlighted as a promising target for novel antimalarial drugs. Here we report the discovery and characterization of seven molecules from an antimalarial set of 13533 compounds through single-target TrxR biochemical screens. We have produced high-purity, full-length, recombinant native enzyme from four Plasmodium species, and thioredoxin substrates from P. falciparum and Rattus norvegicus. The enzymes were screened using a unique, high-throughput, in vitro native substrate assay, and we have observed selectivity between the Plasmodium species and the mammalian form of the enzyme. This has indicated differences in their biomolecular profiles and has provided valuable insights into the biochemical mechanisms of action of compounds with proven antimalarial activity.

MeSH terms

  • Animals
  • Antimalarials / chemistry
  • Antimalarials / pharmacology*
  • Cloning, Molecular
  • Dose-Response Relationship, Drug
  • Drug Resistance
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology
  • Gene Expression Regulation, Enzymologic / drug effects*
  • Inhibitory Concentration 50
  • Kinetics
  • Molecular Structure
  • Plasmodium / classification
  • Plasmodium / enzymology*
  • Structure-Activity Relationship
  • Thioredoxin-Disulfide Reductase / antagonists & inhibitors*
  • Thioredoxin-Disulfide Reductase / genetics
  • Thioredoxin-Disulfide Reductase / metabolism

Substances

  • Antimalarials
  • Enzyme Inhibitors
  • Thioredoxin-Disulfide Reductase