Automation of biomolecular NMR screening

Curr Top Med Chem. 2003;3(1):55-67. doi: 10.2174/1568026033392688.

Abstract

For NMR based screening we review equipment needed for automated preparation of samples and acquisition of a large number of data sets. Hardware connecting lab-bench and NMR spectrometer is described. We focus on software used for automated calculation of the similarity between spectra - a prerequisite for the identification of test compounds interacting with a target-molecule.

Publication types

  • Review

MeSH terms

  • Drug Design
  • Drug Evaluation, Preclinical / methods*
  • Humans
  • Ligands
  • Nuclear Magnetic Resonance, Biomolecular / instrumentation*
  • Nuclear Magnetic Resonance, Biomolecular / methods
  • Pharmaceutical Preparations / chemistry
  • Pharmaceutical Preparations / metabolism
  • Principal Component Analysis
  • Protein Binding
  • Proteins / chemistry
  • Proteins / metabolism
  • Software

Substances

  • Ligands
  • Pharmaceutical Preparations
  • Proteins