Literature DB >> 12120505

NMR in drug discovery.

Maurizio Pellecchia1, Daniel S Sem, Kurt Wüthrich.   

Abstract

NMR spectroscopy has evolved into an important technique in support of structure-based drug design. Here, we survey the principles that enable NMR to provide information on the nature of molecular interactions and, on this basis, we discuss current NMR-based strategies that can identify weak-binding compounds and aid their development into potent, drug-like inhibitors for use as lead compounds in drug discovery.

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Year:  2002        PMID: 12120505     DOI: 10.1038/nrd748

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


  69 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.  Improved mapping of protein binding sites.

Authors:  Tamas Kortvelyesi; Michael Silberstein; Sheldon Dennis; Sandor Vajda
Journal:  J Comput Aided Mol Des       Date:  2003 Feb-Apr       Impact factor: 3.686

4.  Simultaneous single-structure and bundle representation of protein NMR structures in torsion angle space.

Authors:  Daniel Gottstein; Donata K Kirchner; Peter Güntert
Journal:  J Biomol NMR       Date:  2012-02-22       Impact factor: 2.835

Review 5.  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

6.  The conformation of acetylcholine at its target site in the membrane-embedded nicotinic acetylcholine receptor.

Authors:  P T F Williamson; A Verhoeven; K W Miller; B H Meier; A Watts
Journal:  Proc Natl Acad Sci U S A       Date:  2007-11-07       Impact factor: 11.205

7.  CONFIRM: connecting fragments found in receptor molecules.

Authors:  David C Thompson; R Aldrin Denny; Ramaswamy Nilakantan; Christine Humblet; Diane Joseph-McCarthy; Eric Feyfant
Journal:  J Comput Aided Mol Des       Date:  2008-07-09       Impact factor: 3.686

Review 8.  Structural basis of protein-protein interaction studied by NMR.

Authors:  Yunyu Shi; Jihui Wu
Journal:  J Struct Funct Genomics       Date:  2007-09-01

Review 9.  Perspectives on NMR in drug discovery: a technique comes of age.

Authors:  Maurizio Pellecchia; 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
Journal:  Nat Rev Drug Discov       Date:  2008-09       Impact factor: 84.694

10.  NMR studies of a heterotypic Sam-Sam domain association: the interaction between the lipid phosphatase Ship2 and the EphA2 receptor.

Authors:  Marilisa Leone; Jason Cellitti; Maurizio Pellecchia
Journal:  Biochemistry       Date:  2008-12-02       Impact factor: 3.162

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