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,...
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 proteinâ??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] Current NMR Techniques for Structure-Based Drug Discovery.
Current NMR Techniques for Structure-Based Drug Discovery.
Related Articles Current NMR Techniques for Structure-Based Drug Discovery.
Molecules. 2018 Jan 12;23(1):
Authors: Sugiki T, Furuita K, Fujiwara T, Kojima C
Abstract
A variety of nuclear magnetic resonance (NMR) applications have been developed for structure-based drug discovery (SBDD). NMR provides many advantages over other methods, such as the ability to directly observe chemical compounds and target biomolecules, and to be used for ligand-based and protein-based...
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01-14-2018 12:38 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
[NMR paper] The small GTPases Ras and Rheb studied by multidimensional NMR spectroscopy: structure and function.
The small GTPases Ras and Rheb studied by multidimensional NMR spectroscopy: structure and function.
The small GTPases Ras and Rheb studied by multidimensional NMR spectroscopy: structure and function.
Biol Chem. 2017 May 01;398(5-6):577-588
Authors: Schöpel M, Potheraveedu VN, Al-Harthy T, Abdel-Jalil R, Heumann R, Stoll R
Abstract
Ras GTPases are key players in cellular signalling because they act as binary switches. These states manifest through toggling between an active (GTP-loaded) and an inactive (GDP-loaded) form. The...
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05-07-2017 04:20 PM
[NMR paper] The small GTPases Ras and Rheb studied by multidimensional NMR spectroscopy: structure and function.
The small GTPases Ras and Rheb studied by multidimensional NMR spectroscopy: structure and function.
The small GTPases Ras and Rheb studied by multidimensional NMR spectroscopy: structure and function.
Biol Chem. 2017 Feb 11;:
Authors: Schöpel M, Potheraveedu VN, Al-Harthy T, Abdel-Jalil R, Heumann R, Stoll R
Abstract
Ras GTPases are key players in cellular signalling because they act as binary switches. These states manifest through toggling between an active (GTP-loaded) and an inactive (GDPloaded) form. The hydrolysis and...
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05-07-2017 04:20 PM
[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
Application of NMR and Molecular Docking in Structure-Based Drug Discovery.
Application of NMR and Molecular Docking in Structure-Based Drug Discovery.
Application of NMR and Molecular Docking in Structure-Based Drug Discovery.
Top Curr Chem. 2011 Sep 14;
Authors: Stark JL, Powers R
Abstract
Drug discovery is a complex and costly endeavor, where few drugs that reach the clinical testing phase make it to market. High-throughput screening (HTS) is the primary method used by the pharmaceutical industry to identify initial lead compounds. Unfortunately, HTS has a high failure rate and is not particularly efficient at...