Navigating the ever-evolving landscape of nuclear magnetic resonance (NMR) poses challenges for the industry. This work explores promising approaches that illuminate protein-ligand interactions in the context of structural dynamics, facilitating targeted drug discovery. I acknowledge existing limitations and highlight future opportunities, which may pave the way for broader NMR integration and faster therapeutic development.
[NMR paper] Early-stage structure-based drug discovery for small GTPases by NMR spectroscopy
Early-stage structure-based drug discovery for small GTPases by NMR spectroscopy
Small GTPase or Ras superfamily, including Ras, Rho, Rab, Ran and Arf, are fundamental in regulating a wide range of cellular processes such as growth, differentiation, migration and apoptosis. They share structural and functional similarities for binding guanine nucleotides and hydrolyzing GTP. Dysregulations of Ras proteins are involved in the pathophysiology of multiple human diseases, however there is still a stringent need for effective treatments targeting these proteins. For decades,...
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Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery
Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery
Abstract
Recently, there has been increasing interest in new modalities such as therapeutic antibodies and gene therapy at a number of pharmaceutical companies. Moreover, in small-molecule drug discovery at such companies, efforts have focused on hard-to-drug targets such as inhibiting proteinā??protein interactions. Biomolecular NMR spectroscopy has been used in drug discovery in a variety of ways, such as for the reliable detection of binding and providing...
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04-20-2020 05:10 PM
[NMR paper] Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery.
Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery.
Related Articles Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery.
J Biomol NMR. 2020 Apr 18;:
Authors: Hanzawa H, Shimada T, Takahashi M, Takahashi H
Abstract
Recently, there has been increasing interest in new modalities such as therapeutic antibodies and gene therapy at a number of pharmaceutical companies. Moreover, in small-molecule drug discovery at such companies, efforts have focused on hard-to-drug...
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04-20-2020 05:10 PM
[NMR paper] Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.
Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.
J Med Chem. 2017 12 28;60(24):10056-10070
Authors: Di Lello P, Pastor R, Murray JM, Blake RA, Cohen F, Crawford TD, Drobnick J, Drummond J, Kategaya L, Kleinheinz T, Maurer T,...
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04-02-2019 02:58 PM
[NMR paper] Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery.
Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery.
Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery.
J Med Chem. 2015 Nov 24;
Authors: Arntson KE, Pomerantz WC
Abstract
The 19F isotope is 100% naturally abundant and is the second most sensitive and stable NMR-active nucleus. Unlike the ubiquitous hydrogen atom, fluorine is nearly absent in biological systems, making it a unique bioorthogonal atom for probing molecular interactions in biology. Over 73...
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11-26-2015 12:13 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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The role of NMR in advancing small molecule drug discovery
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