Discovery of novel aspartyl ketone dipeptides as potent and selective caspase-3 inhibitors

Bioorg Med Chem Lett. 2004 Feb 9;14(3):805-8. doi: 10.1016/j.bmcl.2003.10.064.

Abstract

The discovery of a series of potent, selective and reversible dipeptidyl caspase-3 inhibitors are reported. The iterative discovery process of using combinatorial chemistry, parallel synthesis, moleculare modelling and structural biology will be discussed.

MeSH terms

  • Aspartic Acid / chemistry*
  • Binding Sites
  • Caspase 3
  • Caspase Inhibitors*
  • Cells, Cultured
  • Combinatorial Chemistry Techniques
  • Dipeptides* / chemical synthesis
  • Dipeptides* / pharmacology
  • Enzyme Inhibitors* / chemical synthesis
  • Enzyme Inhibitors* / pharmacology
  • Humans
  • Ketones* / chemical synthesis
  • Ketones* / pharmacology
  • Models, Molecular
  • Structure-Activity Relationship
  • Substrate Specificity

Substances

  • Caspase Inhibitors
  • Dipeptides
  • Enzyme Inhibitors
  • Ketones
  • Aspartic Acid
  • CASP3 protein, human
  • Caspase 3