Measurement of Ligand-Target Residence Times by 1H Relaxation Dispersion NMR Spectroscopy

J Med Chem. 2016 Dec 8;59(23):10788-10793. doi: 10.1021/acs.jmedchem.6b01110. Epub 2016 Nov 29.

Abstract

A ligand-observed 1H NMR relaxation experiment is introduced for measuring the binding kinetics of low-molecular-weight compounds to their biomolecular targets. We show that this approach, which does not require any isotope labeling, is applicable to ligand-target systems involving proteins and nucleic acids of variable molecular size. The experiment is particularly useful for the systematic investigation of low affinity molecules with residence times in the micro- to millisecond time regime.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Dose-Response Relationship, Drug
  • Kinetics
  • Ligands
  • Molecular Structure
  • Molecular Weight
  • Proton Magnetic Resonance Spectroscopy*
  • Structure-Activity Relationship
  • Time Factors

Substances

  • Ligands