Journal ArticleDOI
Applications of NMR in drug discovery
TLDR
Its unmatched screening sensitivity, combined with the abundance of available information on the structure and nature of molecular binding, justifies the growing interest in this dynamically expanding NMR application.About:
This article is published in Current Opinion in Chemical Biology.The article was published on 2001-06-01. It has received 122 citations till now.read more
Citations
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Journal ArticleDOI
Target identification using drug affinity responsive target stability (DARTS)
Brett Lomenick,Rui Hao,Nao Jonai,Randall Chin,Mariam Aghajan,Sarah Warburton,Jianing Wang,Raymond Wu,Fernando Gomez,Joseph A. Loo,James A. Wohlschlegel,Thomas M. Vondriska,Jerry Pelletier,Harvey R. Herschman,Jon Clardy,Catherine F. Clarke,Jing Huang +16 more
TL;DR: In this paper, drug affinity responsive target stability (DARTS) is proposed to identify known small-molecule-protein interactions and reveal the eukaryotic translation initiation machinery as a molecular target for the longevity enhancing plant natural product resveratrol.
Journal ArticleDOI
Structure-based virtual screening: an overview.
TL;DR: The current strengths and weaknesses of the technology are discussed, and emphasis is placed on aspects of the work-flow of a virtual screening campaign, from preparation through to post-screening analysis.
Journal ArticleDOI
NMR screening techniques in drug discovery and drug design
Brian J. Stockman,Claudio Dalvit +1 more
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High-Throughput NMR-Based Screening with Competition Binding Experiments
Claudio Dalvit,Maria Flocco,Stefan Knapp,Marina Mostardini,Rita Perego,Brian J. Stockman,Marina Veronesi,Mario Varasi +7 more
TL;DR: A novel approach for performing high-throughput screening with NMR spectroscopy that overcomes the Achilles heel of ligand-based NMR screening methods and permits detection of potential high-affinity molecules that are only marginally soluble, thus significantly enlarging the diversity of compounds amenable to N MR screening.
Journal ArticleDOI
Applications of saturation transfer difference NMR in biological systems.
TL;DR: Modifications of STD pulse programs using (13)C and (15)N nuclei are now used to overcome the signal overlapping that occurs with more complex structures.
References
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Journal ArticleDOI
Attenuated T2 relaxation by mutual cancellation of dipole–dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution
TL;DR: The TROSY principle should benefit a variety of multidimensional solution NMR experiments, especially with future use of yet somewhat higher polarizing magnetic fields than are presently available, and thus largely eliminate one of the key factors that limit work with larger molecules.
Journal ArticleDOI
Discovering High-Affinity Ligands for Proteins: SAR by NMR
TL;DR: A nuclear magnetic resonance (NMR)-based method is described in which small organic molecules that bind to proximal subsites of a protein are identified, optimized, and linked together to produce high-affinity ligands and appears particularly useful in target-directed drug research.
Journal ArticleDOI
The Properties of Known Drugs. 1. Molecular Frameworks
Guy W. Bemis,Murcko Mark A +1 more
TL;DR: This work uses shape description methods to analyze a database of commercially available drugs and prepares a list of common drug shapes, finding that the diversity of shapes in the set of known drugs is extremely low.
Journal ArticleDOI
Diffusion ordered nuclear magnetic resonance spectroscopy: principles and applications
TL;DR: In this article, the authors propose a method for the identification of the most likely candidate species of a given species from a set of known species: a.k.a. a. nomenclature.
Journal ArticleDOI
Characterization of Ligand Binding by Saturation Transfer Difference NMR Spectroscopy
Moriz Mayer,Bernd Meyer +1 more
TL;DR: Fast identification of binding activity directly from mixtures of potential ligands is possible with the NMR method described, which is based on saturation transfer to molecules in direct contact to a protein.
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Discovering High-Affinity Ligands for Proteins: SAR by NMR
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Moriz Mayer,Bernd Meyer +1 more