Synthesis, biological evaluation, and modeling studies of inhibitors aimed at the malarial proteases plasmepsins I and II

Bioorg Med Chem. 2005 Sep 15;13(18):5371-90. doi: 10.1016/j.bmc.2005.06.048.

Abstract

The increasing resistance of the malarial parasite to antimalarial drugs is a major contributor to the reemergence of the disease and increases the need for new drug targets. The two aspartic proteases, plasmepsins I and II, from Plasmodium falciparum have recently emerged as potential targets. In an effort to inhibit these hemoglobinases, a series of inhibitors encompassing a basic hydroxyethylamine transition state isostere as a central fragment were prepared. The synthesized compounds were varied in the P1' position and exhibited biological activities in the range of 31 to >2000 nM. To try to rationalize the results, molecular docking and 3D-QSAR analysis were used.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Antimalarials / chemical synthesis*
  • Antimalarials / chemistry
  • Antimalarials / pharmacology*
  • Aspartic Acid Endopeptidases / antagonists & inhibitors*
  • Computer Simulation
  • Models, Biological
  • Models, Molecular
  • Plasmodium falciparum / enzymology
  • Protease Inhibitors / chemical synthesis
  • Protease Inhibitors / chemistry
  • Protease Inhibitors / pharmacology*
  • Protozoan Proteins
  • Quantitative Structure-Activity Relationship

Substances

  • Antimalarials
  • Protease Inhibitors
  • Protozoan Proteins
  • Aspartic Acid Endopeptidases
  • plasmepsin
  • plasmepsin II