Work

Detection of Protein–Ligand Interactions by 19F Nuclear Magnetic Resonance Using Hyperpolarized Water

Year: 2022

Type: article

Abstract: The transfer of nuclear spin hyperpolarization from water to ligand 19 F spins results in a transient signal change that is indicative of protein–ligand interaction. The 19 F nucleus allows for background-free detection of these signals, which are modulated by polarization transfer via pathways similar to those in a hyperpolarized 1 H water LOGSY experiment. Quantification of the apparent heteronuclear cross-relaxation rates is facilitated by a simultaneous dual-channel detection of 1 H and 19 F signals. Calculated cross-relaxation rates for the 1 H– 19 F transfer step indicate that these rates are sensitive to binding to medium- and large-sized proteins. The heteronuclear observation of hyperpolarization transfer from water may be used to screen protein–ligand interactions in drug discovery and other applications.

Source: The Journal of Physical Chemistry Letters

DOI: 10.1021/acs.jpclett.2c00448

Authors: Jiandu Hu, Jihyun Kim, Christian Hilty

Institution: Texas A&M University

Language: English

Topic: Advanced NMR Techniques and Applications

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: green

Funders: Welch Foundation, National Institute of General Medical Sciences

Awards: G1020944575, Hyperpolarization Assisted and Structure Based Screening of Protein-Ligand Interactions in Live Cells