Authors: Keiffer S, Carneiro MG, Hollander J, Kobayashi M, Pogoryelev D, Ab E, Theisgen S, Müller G, Siegal G
Abstract
No matter the source of compounds, drug discovery campaigns focused directly on the target are entirely dependent on a consistent stream of reliable data that reports on how a putative ligand interacts with the protein of interest. The data will derive from many sources including enzyme assays and many types of biophysical binding assays such as TR-FRET, SPR, thermophoresis and many others. Each method has its strengths and weaknesses, but none is as information rich and broadly applicable as NMR. Here we provide a number of examples of the utility of NMR for enabling and providing ongoing support for the early pre-clinical phase of small molecule drug discovery efforts. The examples have been selected for their usefulness in a commercial setting, with full understanding of the need for speed, cost-effectiveness and ease of implementation.
PMID: 32901320 [PubMed - as supplied by publisher]
NMR in target driven drug discovery: why not?
NMR in target driven drug discovery: why not?
Abstract
No matter the source of compounds, drug discovery campaigns focused directly on the target are entirely dependent on a consistent stream of reliable data that reports on how a putative ligand interacts with the protein of interest. The data will derive from many sources including enzyme assays and many types of biophysical binding assays such as TR-FRET, SPR, thermophoresis and many others. Each method has its strengths and weaknesses, but none is as information rich and broadly applicable as NMR....
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09-13-2020 09:18 AM
Structure of A2aAR protein holds clues for better drug design - Drug Target Review
Structure of A2aAR protein holds clues for better drug design - Drug Target Review
Structure of A2aAR protein holds clues for better drug design Drug Target ReviewScientists have investigated a key protein used in drug design and discovered dynamic structural features that may lead to new ways to target diseases…
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01-07-2019 05:49 AM
[ASAP] Target Engagement and Binding Mode of an Antituberculosis Drug to Its Bacterial Target Deciphered in Whole Living Cells by NMR
Target Engagement and Binding Mode of an Antituberculosis Drug to Its Bacterial Target Deciphered in Whole Living Cells by NMR
https://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.8b00975/20190103/images/medium/bi-2018-00975t_0006.gif
Biochemistry
DOI: 10.1021/acs.biochem.8b00975
http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA
http://feeds.feedburner.com/~r/acs/bichaw/~4/J0ajkYKpz7s
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01-07-2019 05:49 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
<img alt="" height="1" width="1">
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
Structure of A2aAR protein holds clues for better drug design - Drug Target Review
Structure of A2aAR protein holds clues for better drug design - Drug Target Review
http://www.bionmr.com//t2.gstatic.com/images?q=tbn:ANd9GcRuETgJqnTh9Wp0m-45aeSW9Z-4wIp2p4ir8B09tY9y94P37ZaDQjmpewnDAZL0FvfSlK2aEsU
Drug Target Review
<img alt="" height="1" width="1">
Structure of A2aAR protein holds clues for better drug design
Drug Target Review
A2aAR protein holds clues for better drug design. Scientists have investigated a key protein used in drug design and discovered dynamic structural features that may lead to new ways to target diseases.
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01-03-2018 08:43 AM
[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
<img alt="" height="1" width="1" />
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
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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NMR in target driven drug discovery: why not?
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