Speeding-up the Determination of Protein-Ligand Affinities by STD NMR: The Reduced Data Set STD NMR Approach (rd-STD NMR).

ABSTRACT: STD NMR spectroscopy is a powerful ligand-observed NMR tool for screening and characterizing the interactions of small molecules and low molecular weight fragments with a given macromolecule, identifying the main intermolecular contacts in the bound state. It is also a powerful analytical technique for the accurate determination of protein-ligand dissociation constants (K_D) of medium-to-weak affinity, of interest in the pharmaceutical industry. However, accurate K_D determination and epitope mapping requires a long series of experiments at increasing saturation times to carry out a full analysis using the so-called STD NMR build-up curve approach and apply the "initial slopes approximation". Here, we have developed a new protocol to bypass this important

SUBMITTER: Rocha G 

PROVIDER: S-EPMC10853903 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature