Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool within drug discovery over the last two decades. While traditionally being used by medicinal chemists for small molecule structure elucidation, it can also be a valuable tool for the identification of small molecules that bind to drug targets, for the characterization of targetâ??ligand interactions and for hit-to-lead optimization. Here, we describe how NMR spectroscopy is integrated into the Pfizer drug discovery pipeline and how we utilize this approach to identify and validate initial hits and generate leads.
New Structure of Key Protein Holds Clues for Better Drug Design - Drug Discovery & Development
New Structure of Key Protein Holds Clues for Better Drug Design - Drug Discovery & Development
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Drug Discovery & Development
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New Structure of Key Protein Holds Clues for Better Drug Design
Drug Discovery & Development
To solve this problem, the researchers used a technique called nuclear magnetic resonance (NMR) spectroscopy, which creates strong magnetic fields to locate the positions of probes in a sample. Wüthrich is a...
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01-29-2018 01:57 PM
[NMR paper] Solution NMR Spectroscopy in Target-Based Drug Discovery.
Solution NMR Spectroscopy in Target-Based Drug Discovery.
Related Articles Solution NMR Spectroscopy in Target-Based Drug Discovery.
Molecules. 2017 Aug 23;22(9):
Authors: Li Y, Kang C
Abstract
Solution NMR spectroscopy is a powerful tool to study protein structures and dynamics under physiological conditions. This technique is particularly useful in target-based drug discovery projects as it provides protein-ligand binding information in solution. Accumulated studies have shown that NMR will play more and more important...
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08-25-2017 04:11 AM
New Protein Evolution Insight Could Improve Drug Design - Drug Discovery & Development
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New Protein Evolution Insight Could Improve Drug Design
Drug Discovery & Development
The team used a variety of techniques to characterize the two versions of the enzyme, including X-ray crystallography and nuclear magnetic resonance, analyses of DHFR amino-acid sequences and evaluations of the enzyme's functionality in cells and in ...
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New Protein Evolution Insight Could Improve Drug Design - Drug Discovery & Development
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10-01-2013 09:43 AM
[NMR paper] Fragment-based drug discovery using NMR spectroscopy.
Fragment-based drug discovery using NMR spectroscopy.
Related Articles Fragment-based drug discovery using NMR spectroscopy.
J Biomol NMR. 2013 May 18;
Authors: Harner MJ, Frank AO, Fesik SW
Abstract
Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool for fragment-based drug discovery over the last two decades. While NMR has been traditionally used to elucidate the three-dimensional structures and dynamics of biomacromolecules and their interactions, it can also be a very valuable tool for the reliable...
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05-21-2013 02:34 PM
Researchers Look at Averting Drug Resistance - Drug Discovery & Development
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Researchers Look at Averting Drug Resistance
Drug Discovery & Development
Kern and her team studied the protein using nuclear magnetic resonance spectroscopy, adding a drug mimetic in order to learn how the structure EmrE was designed and how it functioned as it was transportingâ??moving the drug from the inside of the cell ...
Researchers Look at Averting Drug Resistance - Drug Discovery & Development
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02-02-2012 09:43 PM
[NMR paper] NMR spectroscopy and protein structure determination: applications to drug discovery
NMR spectroscopy and protein structure determination: applications to drug discovery and development.
Related Articles NMR spectroscopy and protein structure determination: applications to drug discovery and development.
Curr Pharm Biotechnol. 2005 Apr;6(2):105-20
Authors: Wishart D
Recent technological advances in NMR methods and instrumentation are having a significant impact in structural biology. These innovations are also impacting pharmaceutical biotechnology as it is now possible to use NMR spectroscopy to rapidly characterize a growing...
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11-25-2010 08:21 PM
[NMR paper] Flow NMR spectroscopy in drug discovery.
Flow NMR spectroscopy in drug discovery.
Related Articles Flow NMR spectroscopy in drug discovery.
Curr Opin Drug Discov Devel. 2000 May;3(3):269-74
Authors: Stockman BJ
Flow NMR spectroscopy techniques are becoming increasingly utilized in drug discovery and development. LC-NMR has become a routine method to resolve and identify mixture components. It has broad applications in natural products biochemistry, and drug metabolism and toxicology studies. The rapid throughput of direct-injection NMR of biofluids, combinatorial chemistry samples...
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11-18-2010 09:15 PM
Application of NMR Spectroscopy in Medicinal Chemistry and Drug Discovery.
Application of NMR Spectroscopy in Medicinal Chemistry and Drug Discovery.
Related Articles Application of NMR Spectroscopy in Medicinal Chemistry and Drug Discovery.
Curr Top Med Chem. 2010 Sep 2;
Authors: Ohno A, Inomata K, Tochio H, Shirakawa M
"In-cell nuclear magnetic resonance (NMR)" is a unique method for characterization of conformation, interaction and dynamics of proteins inside living cells at atomic level. Since the method was proposed by Dötch and co-workers in 2001 , its application had been limited to bacterial cells and...
NMR spectroscopy: the swiss army knife of drug discovery
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