19F NMR viewed through two different lenses: Ligand-observed and protein-observed 19F NMR applications for fragment-based drug discovery

Caroline R. Buchholz, William C.K. Pomerantz

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


19F NMR has emerged as a powerful tool in drug discovery, particularly in fragment-based screens. The favorable magnetic resonance properties of the fluorine-19 nucleus, the general absence of fluorine in biological settings, and its ready incorporation into both small molecules and biopolymers, has enabled multiple applications of 19F NMR using labeled small molecules and proteins in biophysical, biochemical, and cellular experiments. This review will cover developments in ligand-observed and protein-observed 19F NMR experiments tailored towards drug discovery with a focus on fragment screening. We also cover the key advances that have furthered the field in recent years, including quantitative, structural, and in-cell methodologies. Several case studies are described for each application to highlight areas for innovation and to further catalyze new NMR developments for using this versatile nucleus.

Original languageEnglish (US)
Pages (from-to)1312-1330
Number of pages19
JournalRSC Chemical Biology
Issue number5
StatePublished - Jul 12 2021

Bibliographical note

Funding Information:
This work was supported by the National Institute of General Medical Sciences MIRA award R35 GM140837-01 and National Institutes of Health Chemistry-Biology Interface Training Grant 5T32GM132029-02 (C. R. B). Fig. 2, 3, 6a, 7 and 8, and TOC created using BioRender.

Publisher Copyright:
© The Royal Society of Chemistry.

PubMed: MeSH publication types

  • Journal Article
  • Review


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