The mathematics of a successful deconvolution: a quantitative assessment of mixture-based combinatorial libraries screened against two formylpeptide receptors

Molecules. 2013 May 30;18(6):6408-24. doi: 10.3390/molecules18066408.

Abstract

In the past 20 years, synthetic combinatorial methods have fundamentally advanced the ability to synthesize and screen large numbers of compounds for drug discovery and basic research. Mixture-based libraries and positional scanning deconvolution combine two approaches for the rapid identification of specific scaffolds and active ligands. Here we present a quantitative assessment of the screening of 32 positional scanning libraries in the identification of highly specific and selective ligands for two formylpeptide receptors. We also compare and contrast two mixture-based library approaches using a mathematical model to facilitate the selection of active scaffolds and libraries to be pursued for further evaluation. The flexibility demonstrated in the differently formatted mixture-based libraries allows for their screening in a wide range of assays.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • High-Throughput Screening Assays / methods*
  • Inhibitory Concentration 50
  • Ligands
  • Models, Theoretical*
  • Peptide Library*
  • Peptides / chemistry
  • Peptides / pharmacology
  • Receptors, Formyl Peptide / antagonists & inhibitors*

Substances

  • Ligands
  • Peptide Library
  • Peptides
  • Receptors, Formyl Peptide