Abstract
During the past decades, solution nuclear magnetic resonance (NMR) spectroscopy has demonstrated itself as a promising tool in drug discovery. Especially, fragment-based drug discovery (FBDD) has benefited a lot from the NMR development. Multiple candidate compounds and FDA-approved drugs derived from FBDD have been developed with the assistance of NMR techniques. NMR has broad applications in different stages of the FBDD process, which includes fragment library construction, hit generation and validation, hit-to-lead optimization and working mechanism elucidation, etc. In this manuscript, we reviewed the current progresses of NMR applications in fragment-based drug discovery, which were illustrated by multiple reported cases. Moreover, the NMR applications in protein-protein interaction (PPI) modulators development and the progress of in-cell NMR for drug discovery were also briefly summarized.
[NMR paper] A Practical Perspective on the Roles of Solution NMR Spectroscopy in Drug Discovery.
A Practical Perspective on the Roles of Solution NMR Spectroscopy in Drug Discovery.
Related Articles A Practical Perspective on the Roles of Solution NMR Spectroscopy in Drug Discovery.
Molecules. 2020 Jun 28;25(13):
Authors: Li Q, Kang C
Abstract
Solution nuclear magnetic resonance (NMR) spectroscopy is a powerful tool to study structures and dynamics of biomolecules under physiological conditions. As there are numerous NMR-derived methods applicable to probe protein-ligand interactions, NMR has been widely utilized in drug...
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07-02-2020 11:18 AM
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
http://www.bionmr.com//t2.gstatic.com/images?q=tbn:ANd9GcT1kdPCywa7_Peq_DtD9fXkY5_dRiMlMMPRdla0PAYYKE305o8lGDypaVvzHU62rj3Xid-pncET
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
[NMR paper] Applications of (19)F-NMR in Fragment-Based Drug Discovery.
Applications of (19)F-NMR in Fragment-Based Drug Discovery.
Related Articles Applications of (19)F-NMR in Fragment-Based Drug Discovery.
Molecules. 2016;21(7)
Authors: Norton RS, Leung EW, Chandrashekaran IR, MacRaild CA
Abstract
(19)F-NMR has proved to be a valuable tool in fragment-based drug discovery. Its applications include screening libraries of fluorinated fragments, assessing competition among elaborated fragments and identifying the binding poses of promising hits. By observing fluorine in both the ligand and the...
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07-22-2016 01:34 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] Recent applications of isotopic labeling for protein NMR in drug discovery.
Recent applications of isotopic labeling for protein NMR in drug discovery.
Related Articles Recent applications of isotopic labeling for protein NMR in drug discovery.
Expert Opin Drug Discov. 2013 Mar 12;
Authors: Hiroaki H
Abstract
Introduction: Nuclear magnetic resonance (NMR) applications in drug discovery are classified into two categories: ligand-based methods and protein-based methods. The latter is based on the observation of the (1)H-(15)N HSQC spectra of a protein with and without lead compounds. However, in order to take this...
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03-14-2013 10:05 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] Applications of NMR in drug discovery.
Applications of NMR in drug discovery.
Related Articles Applications of NMR in drug discovery.
Drug Discov Today. 2000 Jun;5(6):230-240
Authors: Roberts GC
In the half-century since its discovery, nuclear magnetic resonance (NMR) has become the single most powerful form of spectroscopy in both chemistry and structural biology. The dramatic technical advances over the past 10-15 years, which continue apace, have markedly increased the range of applications for NMR in the study of protein-ligand interactions. These form the basis for its most...
Applications of Solution NMR in Drug Discovery.
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