Efficient discovery of inhibitory ligands for diverse targets from a small combinatorial chemical library of chimeric molecules

Biochem Biophys Res Commun. 1999 Dec 9;266(1):62-5. doi: 10.1006/bbrc.1999.1775.

Abstract

Living systems are mainly composed and regulated by compounds in four biochemical classes and their polymers-nucleotides, carbohydrates, lipids, and amino acids. Early combinatorial chemistry libraries consisted of peptides. The present report describes the general bioactivity and biophysical properties of a combinatorial chemical library that used glyco, nucleotidyl, and lipid building blocks. The resulting chimeric combinatorial library of 361 compounds had a confirmed cumulative hit rate of 0.16%, which is 8-fold higher than a commonly claimed industrial benchmark of 0. 02%. It produced 7 structurally confirmed hits for a third of 12 proprietary drug discovery projects, and these comprised a variety of molecular targets. Diversity analyses demonstrated that despite the small number of compounds, a wider range of diversity space was covered by this library of biochemical chimeras than by a branched tripeptide library of the same size and similar generic formula.

MeSH terms

  • Binding Sites
  • Combinatorial Chemistry Techniques
  • Diamide / metabolism*
  • Drug Evaluation, Preclinical / methods*
  • Endopeptidases / metabolism
  • Enzyme Inhibitors / metabolism
  • Glycosylation
  • Hydrogen Bonding
  • Inhibitory Concentration 50
  • Ligands
  • Lipid Metabolism*
  • Molecular Weight
  • Nucleotides / metabolism*
  • Peptide Library
  • Protein Kinase Inhibitors
  • Protein Kinases / metabolism
  • Reproducibility of Results
  • Sensitivity and Specificity
  • Substrate Specificity

Substances

  • Enzyme Inhibitors
  • Ligands
  • Nucleotides
  • Peptide Library
  • Protein Kinase Inhibitors
  • Diamide
  • Protein Kinases
  • Endopeptidases