Cryo-EM in drug discovery: achievements, limitations and prospects

JP Renaud, A Chari, C Ciferri, W Liu… - Nature reviews Drug …, 2018 - nature.com
Cryo-electron microscopy (cryo-EM) of non-crystalline single particles is a biophysical
technique that can be used to determine the structure of biological macromolecules and …

NMR spectroscopy techniques for screening and identifying ligand binding to protein receptors

B Meyer, T Peters - Angewandte Chemie International Edition, 2003 - Wiley Online Library
Binding events of ligands to receptors are the key for an understanding of biological
processes. Gaining insight into protein–protein and protein–ligand interactions in solution …

Group epitope map** by saturation transfer difference NMR to identify segments of a ligand in direct contact with a protein receptor

M Mayer, B Meyer - journal of the american chemical society, 2001 - ACS Publications
A protocol based on saturation transfer difference (STD) NMR spectra was developed to
characterize the binding interactions at an atom level, termed group epitope map** …

Targeting the von Hippel–Lindau E3 ubiquitin ligase using small molecules to disrupt the VHL/HIF-1α interaction

DL Buckley, I Van Molle, PC Gareiss… - Journal of the …, 2012 - ACS Publications
E3 ubiquitin ligases, which bind protein targets, leading to their ubiquitination and
subsequent degradation, are attractive drug targets due to their exquisite substrate …

Fragment-based approaches in drug discovery and chemical biology

DE Scott, AG Coyne, SA Hudson, C Abell - Biochemistry, 2012 - ACS Publications
Fragment-based approaches to finding novel small molecules that bind to proteins are now
firmly established in drug discovery and chemical biology. Initially developed primarily in a …

WaterLOGSY as a method for primary NMR screening: practical aspects and range of applicability

C Dalvit, GP Fogliatto, A Stewart, M Veronesi… - Journal of biomolecular …, 2001 - Springer
WaterLOGSY represents a powerful method for primary NMR screening in the identification
of compounds interacting with macromolecules, including proteins and DNA or RNA …

NMR in drug discovery

M Pellecchia, DS Sem, K Wüthrich - Nature Reviews Drug Discovery, 2002 - nature.com
NMR spectroscopy has evolved into an important technique in support of structure-based
drug design. Here, we survey the principles that enable NMR to provide information on the …

[HTML][HTML] Affinity measurement of strong ligands with NMR spectroscopy: Limitations and ways to overcome them

C Dalvit, I Gmür, P Rößler, AD Gossert - Progress in Nuclear Magnetic …, 2023 - Elsevier
NMR spectroscopy is currently extensively used in binding assays for hit identification, but its
use in dissociation constant determination is more limited when compared to other …

Perspectives on NMR in drug discovery: a technique comes of age

M Pellecchia, I Bertini, D Cowburn, C Dalvit… - Nature Reviews Drug …, 2008 - nature.com
In the past decade, the potential of harnessing the ability of nuclear magnetic resonance
(NMR) spectroscopy to monitor intermolecular interactions as a tool for drug discovery has …

Ligand-based fluorine NMR screening: principles and applications in drug discovery projects

C Dalvit, A Vulpetti - Journal of medicinal chemistry, 2018 - ACS Publications
Ligand-based fluorine NMR screening has gained popularity in drug discovery projects
during the past decade and has become a powerful methodology to produce high quality …