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

ABSTRACT: The transfer of nuclear spin hyperpolarization from water to ligand ¹⁹F spins results in a transient signal change that is indicative of protein-ligand interaction. The ¹⁹F nucleus allows for background-free detection of these signals, which are modulated by polarization transfer via pathways similar to those in a hyperpolarized ¹H water LOGSY experiment. Quantification of the apparent heteronuclear cross-relaxation rates is facilitated by a simultaneous dual-channel detection of ¹H and ¹⁹F signals. Calculated cross-relaxation rates for the ¹H-¹⁹F 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.

SUBMITTER: Hu J

PROVIDER: S-EPMC9088881 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature

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

Hu Jiandu J Kim Jihyun J Hilty Christian C

The journal of physical chemistry letters 20220424 17

The transfer of nuclear spin hyperpolarization from water to ligand 19F spins results in a transient signal change that is indicative of protein-ligand interaction. The 19F nucleus allows for background-free detection of these signals, which are modulated by polarization transfer via pathways similar to those in a hyperpolarized 1H water LOGSY experiment. Quantification of the apparent heteronuclear cross-relaxation rates is facilitated by a simultaneous dual-cha ...[more]

PMID: 35465675

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