Benzo[1,2-c]1,2,5-oxadiazole N-oxide derivatives as potential antitrypanosomal drugs. Part 3: Substituents-clustering methodology in the search for new active compounds

Bioorg Med Chem. 2005 Dec 1;13(23):6324-35. doi: 10.1016/j.bmc.2005.05.020. Epub 2005 Aug 22.

Abstract

The results of a study on the use of Hansch's series design, cluster methodology, for the generation of new benzo[1,2-c]1,2,5-oxadiazole N-oxide derivatives as antitrypanosomal compounds are described. In vitro activity of these compounds was tested against Tulahuen 2 strain of Trypanosoma cruzi. Clearly, the Hansch methodology allowed identifying two cluster-substituents suitable for further structural modifications. The most effective drugs, derivatives 11, 18, and 21, with 50% inhibitory concentration (IC(50)) of the same order as that of the reference drug, represent an excellent structural point of chemical modifications for the design of future drugs. Preliminary results from the study of the mechanism of action of these benzofuroxans point to perturbation of the mitochondrial electron chain, inhibiting parasite respiration.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Benzene / chemistry*
  • Inhibitory Concentration 50
  • Molecular Structure
  • Nifurtimox / pharmacology
  • Oxadiazoles / chemistry*
  • Oxidation-Reduction
  • Oxides / chemical synthesis*
  • Oxides / chemistry
  • Oxides / pharmacology*
  • Structure-Activity Relationship
  • Trypanocidal Agents / chemical synthesis*
  • Trypanocidal Agents / chemistry
  • Trypanocidal Agents / pharmacology*
  • Trypanosoma cruzi / drug effects

Substances

  • Oxadiazoles
  • Oxides
  • Trypanocidal Agents
  • Benzene
  • Nifurtimox