Application of Nuclear Magnetic Resonance (NMR) in Drug Discovery and Development
A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Pharmaceutical Technology".
Deadline for manuscript submissions: 31 October 2026 | Viewed by 426
Special Issue Editor
Special Issue Information
Dear Colleagues,
NMR provides a unique glimpse into the structure, dynamics, and interactions of biomolecules in their native environment and in real time, complementary to X-ray crystallography and Cryo-EM. Owing to advances in NMR hardware and theory, isotope-labeling strategies, and protein expression methods, the sensitivity and resolution of biomolecular NMR have steadily increased over the past 50 years. These developments now allow interrogation of the properties of individual atoms within megadalton-scale size biomolecular complexes through a remarkable variety of experiments. The downside of this extreme versatility, however, is that NMR remains shrouded in technical complexity for the non-expert.
The aim of this Special Issue is to present non-specialist readers with a collection of concise vignettes describing specific cases in which NMR has been used—successfully or otherwise—to address concrete problems in drug discovery and development. Suitable topics include, but are not limited to, compound library screening, fragment-based drug discovery, and the investigation of receptor–ligand interactions using solution- or solid-state NMR. Reviews focusing on isotope-labeling strategies and pulse sequence methodologies tailored to drug discovery, with an emphasis on current challenges, are also welcome.
Dr. Vladimir M. Gelev
Guest Editor
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Keywords
- biomolecular NMR
- drug discovery
- library screening using NMR
- SAR using NMR
- fragment-based drug discovery using NMR
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