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

CR Buchholz, WCK Pomerantz - RSC chemical biology, 2021 - pubs.rsc.org
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 …

Advances in the study of GPCRs by 19F NMR

LP Picard, RS Prosser - Current Opinion in Structural Biology, 2021 - Elsevier
Crystallography and cryo-electron microscopy have advanced atomic resolution
perspectives of inactive and active states of G protein-coupled receptors (GPCRs), alone …

Exposing the origins of irreproducibility in fluorine NMR spectroscopy

CP Rosenau, BJ Jelier, AD Gossert… - Angewandte Chemie …, 2018 - Wiley Online Library
Fluorine chemistry has taken a pivotal role in chemical reaction discovery, drug
development, and chemical biology. NMR spectroscopy, arguably the most important …

Next-generation tags for fluorine nuclear magnetic resonance: designing amplification of chemical shift sensitivity

GA Frere, A Hasabnis, CB Francisco… - Journal of the …, 2024 - ACS Publications
Fluorine NMR is a highly sensitive technique for delineating the conformational states of
biomolecules and has shown great utility in drug screening and in understanding protein …

SAR by (Protein-Observed) 19F NMR

A Divakaran, SE Kirberger… - Accounts of chemical …, 2019 - ACS Publications
Conspectus Inhibitor discovery for protein–protein interactions has proven difficult due to the
large protein surface areas and dynamic interfaces involved. This is particularly the case …

Electrostatic Contribution to 19F Chemical Shifts in Fluorotryptophans in Proteins

M Maxwell, YJ Tan, R Lee, T Huber, G Otting - Biochemistry, 2023 - ACS Publications
DFT calculations indicate that the 19F chemical shifts of aromatic rings containing single
fluorine substituents are sensitive to the electric fields and electric field gradients at the …

19F NMR as a versatile tool to study membrane protein structure and dynamics

D Rose-Sperling, MA Tran, LM Lauth, B Goretzki… - Biological …, 2019 - degruyter.com
To elucidate the structures and dynamics of membrane proteins, highly advanced
biophysical methods have been developed that often require significant resources, both for …

Understanding protein function through an ensemble description: characterization of functional states by 19F NMR

C Di Pietrantonio, A Pandey, J Gould, A Hasabnis… - Methods in …, 2019 - Elsevier
Protein function is a consequence of a complex and dynamic equilibrium between
allosterically coupled functional states. However, it is often difficult to distinguish the …

Measurement of accurate interfluorine distances in crystalline organic solids: a high-frequency magic angle spinning NMR approach

M Fritz, J Kraus, CM Quinn, GPA Yap… - The Journal of …, 2019 - ACS Publications
Long-range interatomic distance restraints are critical for the determination of molecular
structures by NMR spectroscopy, both in solution and in the solid state. Fluorine is a …

[HTML][HTML] 1H and 19F NMR chemical shifts for hydrogen bond strength determination: Correlations between experimental and computed values

C Dalvit, M Veronesi, A Vulpetti - Journal of Magnetic Resonance Open, 2022 - Elsevier
Abstract 1 H and 19 F NMR methods based on chemical shift measurements of different
hydrogen bond donors used for quantifying hydrogen bond strength were analyzed and …