Protein-observed fluorine NMR: a bioorthogonal approach for small molecule discovery: miniperspective

KE Arntson, WCK Pomerantz - Journal of medicinal chemistry, 2016 - ACS Publications
The 19F isotope is 100% naturally abundant and is the second most sensitive and stable
NMR-active nucleus. Unlike the ubiquitous hydrogen atom, fluorine is nearly absent in …

Current NMR techniques for structure-based drug discovery

T Sugiki, K Furuita, T Fujiwara, C Kojima - Molecules, 2018 - mdpi.com
A variety of nuclear magnetic resonance (NMR) applications have been developed for
structure-based drug discovery (SBDD). NMR provides many advantages over other …

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 …

Using 19F NMR to Probe Biological Interactions of Proteins and Peptides

ENG Marsh, Y Suzuki - ACS chemical biology, 2014 - ACS Publications
Fluorine is a valuable probe for investigating the interactions of biological molecules
because of its favorable NMR characteristics, its small size, and its near total absence from …

Protecting group free radical C–H trifluoromethylation of peptides

N Ichiishi, JP Caldwell, M Lin, W Zhong, X Zhu… - Chemical …, 2018 - pubs.rsc.org
Two radical-based approaches have been developed to effect the trifluoromethylation of aryl
C–H bonds in native peptides either using stoichiometric oxidant or visible light photoredox …

Protein-observed 19F-NMR for fragment screening, affinity quantification and druggability assessment

CT Gee, KE Arntson, AK Urick, NK Mishra, LML Hawk… - Nature protocols, 2016 - nature.com
NMR spectroscopy can be used to quantify the binding affinity between proteins and low-
complexity molecules, termed'fragments'; this versatile screening approach allows …

Tinker, Tailor, Soldier, Spy: The Diverse Roles That Fluorine Can Play within Amino Acid Side Chains

SA Miles, JA Nillama, L Hunter - Molecules, 2023 - mdpi.com
Side chain-fluorinated amino acids are useful tools in medicinal chemistry and protein
science. In this review, we outline some general strategies for incorporating fluorine atom (s) …

Advances in NMR methods to map allosteric sites: from models to translation

S Boulton, G Melacini - Chemical Reviews, 2016 - ACS Publications
The last five years have witnessed major developments in the understanding of the allosteric
phenomenon, broadly defined as coupling between remote molecular sites. Such advances …

Fluorinated Aromatic Amino Acids Are Sensitive 19F NMR Probes for Bromodomain-Ligand Interactions

NK Mishra, AK Urick, SWJ Ember… - ACS Chemical …, 2014 - ACS Publications
We describe a 19F NMR method for detecting bromodomain–ligand interactions using
fluorine-labeled aromatic amino acids due to the conservation of aromatic residues in the …

Modulating the masters: chemical tools to dissect CBP and p300 function

ME Breen, AK Mapp - Current opinion in chemical biology, 2018 - Elsevier
Dysregulation of transcription is found in nearly every human disease, and as a result there
has been intense interest in developing new therapeutics that target regulators of …