Protein affinity map of chemical space

J Chromatogr B Biomed Sci Appl. 1998 Sep 11;715(1):93-102. doi: 10.1016/s0378-4347(98)00045-0.

Abstract

Affinity fingerprinting is a quantitative method for mapping chemical space based on binding preferences of compounds for a reference panel of proteins. An effective reference panel of <20 proteins can be empirically selected which shows differential interaction with nearly all compounds. By using this map to iteratively sample the chemical space, identification of active ligands from a library of 30,000 candidate compounds has been accomplished for a wide spectrum of specific protein targets. In each case, <200 compounds were directly assayed against the target. Further, analysis of the fingerprint database suggests a strategy for effective selection of affinity chromatography ligands and scaffolds for combinatorial chemistry. With such a system, the large numbers of potential therapeutic targets emerging from genome research can be categorized according to ligand binding properties, complementing sequence based classification.

MeSH terms

  • Chromatography, Affinity / methods*
  • Database Management Systems
  • Fluorescence Polarization
  • Ligands
  • Protein Binding
  • Protein Conformation
  • Proteins / chemistry*
  • Proteins / metabolism
  • Reference Standards

Substances

  • Ligands
  • Proteins