Authors: Arsovska E, Mali G, Goli? Grdadolnik S, Zega A
Abstract
One of the most challenging areas in drug design is the area of new antibacterial drugs. Despite significant progress in target validation and screening programs, discovery of new antibacterial classes is not keeping pace with the growing threat of bacterial resistance. In this review we describe examples of the use of NMR spectroscopy methods in different phases of antibacterial drug design. First, several frequently used liquid and solid-state NMR techniques are presented, followed by a review and discussion of the application of NMR spectroscopy to the discovery of new antibacterial agents.
Improving the hyperpolarization of (31)P nuclei by synthetic design
From The DNP-NMR Blog:
Improving the hyperpolarization of (31)P nuclei by synthetic design
Burns, M.J., et al., Improving the hyperpolarization of (31)P nuclei by synthetic design. J Phys Chem B, 2015. 119(15): p. 5020-7.
http://www.ncbi.nlm.nih.gov/pubmed/25811635
nmrlearner
News from NMR blogs
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06-22-2015 11:04 PM
Structure-Based Drug Design
Structure-Based Drug Design
http://www.spectroscopynow.com/common/images/thumbnails/no_img.gifThe 13th Structure-Based Drug Discovery conference will feature the development of in silico technology as well as experimental approaches useful for accurately predicting and modeling the structures of proteins in structure-based drug design efforts.
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nmrlearner
Conferences
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05-22-2013 04:43 PM
[NMR paper] The application of x-ray, NMR, and molecular modeling in the design of MMP inhibitors
The application of x-ray, NMR, and molecular modeling in the design of MMP inhibitors.
Related Articles The application of x-ray, NMR, and molecular modeling in the design of MMP inhibitors.
Curr Top Med Chem. 2004;4(12):1311-27
Authors: Rush TS, Powers R
The following review discusses the successful application of X-ray, NMR, and molecular modeling in the design of potent and selective inhibitors of matrix metalloproteinases (MMPs) and TNFalpha-converting enzyme (TACE) from Wyeth. The importance of protein and ligand mobility as it impacts...
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Journal club
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11-24-2010 09:25 PM
[NMR paper] NMR spectroscopy tools for structure-aided drug design.
NMR spectroscopy tools for structure-aided drug design.
Related Articles NMR spectroscopy tools for structure-aided drug design.
Angew Chem Int Ed Engl. 2004 Jan 3;43(3):290-300
Authors: Homans SW
Biomolecular NMR spectroscopy has expanded dramatically in recent years and is now a powerful tool for the study of structure, dynamics, and interactions of biomolecules. Previous limitations with respect to molecular size are no longer a primary barrier, and systems as large as 900 kDa were recently studied. NMR spectroscopy is already...
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Journal club
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11-24-2010 09:25 PM
[NMR paper] Second-site NMR screening and linker design.
Second-site NMR screening and linker design.
Related Articles Second-site NMR screening and linker design.
Curr Top Med Chem. 2003;3(1):69-80
Authors: Jahnke W, Flörsheimer A, Blommers MJ, Paris CG, Heim J, Nalin CM, Perez LB
One of the prime merits of NMR as a tool for lead finding in drug discovery research is its sensitivity and robustness to detect weak protein-ligand interactions. This sensitivity allows to build up ligands for a given target in a modular way, by a fragment-based approach. In this approach, two ligands are seperately...
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Journal club
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11-24-2010 09:01 PM
Oligo design tools for gene synthesis
Oligo design tools for gene synthesis
1 DNAWorks: http://helixweb.nih.gov/dnaworks/
2 TmPrime: http://prime.ibn.a-star.edu.sg/
nmrlearner
Proteins
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08-25-2010 04:37 AM
[NMR paper] NMR spectroscopy in structure-based drug design.
NMR spectroscopy in structure-based drug design.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR spectroscopy in structure-based drug design.
Curr Opin Biotechnol. 1999 Feb;10(1):42-7
Authors: Roberts GC
NMR methods for the study of motion in proteins continue to improve, and a number of studies of protein-ligand complexes relevant to drug design have been reported over the past year, for example, studies of fatty-acid-binding protein and SH2 and SH3 domains. These...
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Journal club
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08-21-2010 04:03 PM
Molecular Design Made to Measure - AZoNano.com
Molecular Design Made to Measure - AZoNano.com
<img alt="" height="1" width="1" />
Molecular Design Made to Measure
AZoNano.com
NMR spectroscopy, a specialty of the "NMR Core Facility" at the University of Constance, provides an alternative and complementation to other methods. ...
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NMR in the design of antibacterials.
Linear Mode
