Cross-Polarization of Insensitive Nuclei from Water Protons for Detection of Protein-Ligand Binding.

ABSTRACT: Hyperpolarization derived from water protons enhances the NMR signal of ¹⁵N nuclei in a small molecule, enabling the sensitive detection of a protein-ligand interaction. The water hyperpolarized by dissolution dynamic nuclear polarization (D-DNP) acts as a universal signal enhancement agent. The ¹⁵N signal of benzamidine was increased by 1480-fold through continuous polarization transfer by J-coupling-mediated cross-polarization (J-CP) via the exchangeable protons. The signal enhancement factor favorably compares to factors of 110- or 17-fold using non-CP-based polarization transfer mechanisms. The hyperpolarization enabled detection of the binding of benzamidine to the target protein trypsin with a single-scan measurement of ¹⁵N R

SUBMITTER: Pradhan N 

PROVIDER: S-EPMC11403598 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature