Literature DB >> 19172689

Perspectives on NMR in drug discovery: a technique comes of age.

Maurizio Pellecchia1, Ivano Bertini, David Cowburn, Claudio Dalvit, Ernest Giralt, Wolfgang Jahnke, Thomas L James, Steve W Homans, Horst Kessler, Claudio Luchinat, Bernd Meyer, Hartmut Oschkinat, Jeff Peng, Harald Schwalbe, Gregg Siegal.   

Abstract

In the past decade, the potential of harnessing the ability of nuclear magnetic resonance (NMR) spectroscopy to monitor intermolecular interactions as a tool for drug discovery has been increasingly appreciated in academia and industry. In this Perspective, we highlight some of the major applications of NMR in drug discovery, focusing on hit and lead generation, and provide a critical analysis of its current and potential utility.

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Year:  2008        PMID： 19172689      PMCID： PMC2891904          DOI： 10.1038/nrd2606

Source DB:  PubMed          Journal:  Nat Rev Drug Discov        ISSN： 1474-1776            Impact factor:   84.694


  104 in total

1.  Chris Lipinski discusses life and chemistry after the Rule of Five.

Authors:  Christopher A Lipinski
Journal:  Drug Discov Today       Date:  2003-01-01       Impact factor: 7.851

2.  A 'rule of three' for fragment-based lead discovery?

Authors:  Miles Congreve; Robin Carr; Chris Murray; Harren Jhoti
Journal:  Drug Discov Today       Date:  2003-10-01       Impact factor: 7.851

Review 3.  Oligomeric structure, dynamics, and orientation of membrane proteins from solid-state NMR.

Authors:  Mei Hong
Journal:  Structure       Date:  2006-12       Impact factor: 5.006

4.  NMR-based quality control approach for the identification of false positives and false negatives in high throughput screening.

Authors:  Claudio Dalvit; Dannica Caronni; Nicola Mongelli; Marina Veronesi; Anna Vulpetti
Journal:  Curr Drug Discov Technol       Date:  2006-06

5.  Spatial localization of ligand binding sites from electron current density surfaces calculated from NMR chemical shift perturbations.

Authors:  Mark A McCoy; Daniel F Wyss
Journal:  J Am Chem Soc       Date:  2002-10-02       Impact factor: 15.419

6.  Identification of novel fragment compounds targeted against the pY pocket of v-Src SH2 by computational and NMR screening and thermodynamic evaluation.

Authors:  Jonathan D Taylor; Philip J Gilbert; Mark A Williams; William R Pitt; John E Ladbury
Journal:  Proteins       Date:  2007-06-01

Review 7.  NMR-based screening technologies.

Authors:  Murray Coles; Markus Heller; Horst Kessler
Journal:  Drug Discov Today       Date:  2003-09-01       Impact factor: 7.851

8.  Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy.

Authors:  Bruce G Szczepankiewicz; Gang Liu; Philip J Hajduk; Cele Abad-Zapatero; Zhonghua Pei; Zhili Xin; Thomas H Lubben; James M Trevillyan; Michael A Stashko; Stephen J Ballaron; Heng Liang; Flora Huang; Charles W Hutchins; Stephen W Fesik; Michael R Jirousek
Journal:  J Am Chem Soc       Date:  2003-04-09       Impact factor: 15.419

9.  A fast and robust 19F NMR-based method for finding new HIV-1 protease inhibitors.

Authors:  Silvia Frutos; Teresa Tarrago; Ernest Giralt
Journal:  Bioorg Med Chem Lett       Date:  2006-03-06       Impact factor: 2.823

10.  Fluorine-NMR experiments for high-throughput screening: theoretical aspects, practical considerations, and range of applicability.

Authors:  Claudio Dalvit; Paul E Fagerness; Daneen T A Hadden; Ronald W Sarver; Brian J Stockman
Journal:  J Am Chem Soc       Date:  2003-06-25       Impact factor: 15.419
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  103 in total

1.  NMR-based design and evaluation of novel bidentate inhibitors of the protein tyrosine phosphatase YopH.

Authors:  Marilisa Leone; Elisa Barile; Jesus Vazquez; Angel Mei; Donald Guiney; Russel Dahl; Maurizio Pellecchia
Journal:  Chem Biol Drug Des       Date:  2010-04-28       Impact factor: 2.817

2.  Targeting zinc finger domains with small molecules: solution structure and binding studies of the RanBP2-type zinc finger of RBM5.

Authors:  Biancamaria Farina; Roberto Fattorusso; Maurizio Pellecchia
Journal:  Chembiochem       Date:  2011-12-16       Impact factor: 3.164

3.  Expression and purification of Src-family kinases for solution NMR studies.

Authors:  Andrea Piserchio; David Cowburn; Ranajeet Ghose
Journal:  Methods Mol Biol       Date:  2012

Review 4.  STD-NMR: application to transient interactions between biomolecules-a quantitative approach.

Authors:  Jesus Angulo; Pedro M Nieto
Journal:  Eur Biophys J       Date:  2011-09-24       Impact factor: 1.733

5.  Advances in Nuclear Magnetic Resonance for Drug Discovery.

Authors:  Robert Powers
Journal:  Expert Opin Drug Discov       Date:  2009-10-01       Impact factor: 6.098

6.  Structural models in the assessment of protein druggability based on HTS data.

Authors:  Anvita Gupta; Arun Kumar Gupta; Kothandaraman Seshadri
Journal:  J Comput Aided Mol Des       Date:  2009-05-29       Impact factor: 3.686

7.  Fragment-based drug discovery takes a virtual turn.

Authors:  Maurizio Pellecchia
Journal:  Nat Chem Biol       Date:  2009-05       Impact factor: 15.040

8.  Drug screening strategy for human membrane proteins: from NMR protein backbone structure to in silica- and NMR-screened hits.

Authors:  Steffen Lindert; Innokentiy Maslennikov; Ellis J C Chiu; Levi C Pierce; J Andrew McCammon; Senyon Choe
Journal:  Biochem Biophys Res Commun       Date:  2014-02-10       Impact factor: 3.575

9.  NMR analysis of G-protein betagamma subunit complexes reveals a dynamic G(alpha)-Gbetagamma subunit interface and multiple protein recognition modes.

Authors:  Alan V Smrcka; Nessim Kichik; Teresa Tarragó; Michael Burroughs; Min-Sun Park; Nathan K Itoga; Harry A Stern; Barry M Willardson; Ernest Giralt
Journal:  Proc Natl Acad Sci U S A       Date:  2009-12-16       Impact factor: 11.205

10.  Nmrglue: an open source Python package for the analysis of multidimensional NMR data.

Authors:  Jonathan J Helmus; Christopher P Jaroniec
Journal:  J Biomol NMR       Date:  2013-03-02       Impact factor: 2.835
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