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Current NMR Techniques for Structure-Based Drug Discovery
- Source :
- Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry, Molecules, Vol 23, Iss 1, p 148 (2018)
- Publication Year :
- 2017
-
Abstract
- A variety of nuclear magnetic resonance (NMR) applications have been developed for structure-based drug discovery (SBDD). NMR provides many advantages over other methods, such as the ability to directly observe chemical compounds and target biomolecules, and to be used for ligand-based and protein-based approaches. NMR can also provide important information about the interactions in a protein-ligand complex, such as structure, dynamics, and affinity, even when the interaction is too weak to be detected by ELISA or fluorescence resonance energy transfer (FRET)-based high-throughput screening (HTS) or to be crystalized. In this study, we reviewed current NMR techniques. We focused on recent progress in NMR measurement and sample preparation techniques that have expanded the potential of NMR-based SBDD, such as fluorine NMR (19F-NMR) screening, structure modeling of weak complexes, and site-specific isotope labeling of challenging targets.
- Subjects :
- 0301 basic medicine
Materials science
Magnetic Resonance Spectroscopy
nuclear magnetic resonance (NMR)
Pharmaceutical Science
NMR-based lead optimization
Fluorine-19 NMR
Review
010402 general chemistry
01 natural sciences
Analytical Chemistry
lcsh:QD241-441
03 medical and health sciences
lcsh:Organic chemistry
Drug Discovery
Sample preparation
Physical and Theoretical Chemistry
chemistry.chemical_classification
ligand-based NMR
site-specific isotope labeling
Molecular Structure
Drug discovery
Biomolecule
Organic Chemistry
Proteins
protein-protein interaction (PPI) breaker/stabilizer
Combinatorial chemistry
0104 chemical sciences
NMR-based fragment screening
fluorine-19 (19F) NMR
030104 developmental biology
Förster resonance energy transfer
chemistry
Pharmaceutical Preparations
Chemistry (miscellaneous)
Isotope Labeling
Molecular Medicine
Structure based
protein-based NMR
Subjects
Details
- ISSN :
- 14203049
- Volume :
- 23
- Issue :
- 1
- Database :
- OpenAIRE
- Journal :
- Molecules (Basel, Switzerland)
- Accession number :
- edsair.doi.dedup.....296573947977fb4bf889f4dcba5642db