Literature DB >> 33877602

Fragment Screening by NMR.

Ben J Davis1.   

Abstract

This chapter describes the use of NMR to screen a fragment library as part of a fragment-based lead discovery (FBLD) campaign. The emphasis is on the practicalities involved in fragment screening by NMR, with particular attention to the use of 1D ligand-observed 1H NMR experiments. An overview of the theoretical considerations underlying the choice of method and experimental configuration is given, along with a discussion of steps that can be taken in order to minimize the risk of experimental artifacts often associated with the identification of low-affinity interactions.

Entities:  

Keywords:  Biophysics; Drug discovery; FBLD; Fragment screening; Fragment-based lead discovery; NMR

Year:  2021        PMID: 33877602     DOI: 10.1007/978-1-0716-1197-5_11

Source DB:  PubMed          Journal:  Methods Mol Biol        ISSN: 1064-3745


  26 in total

Review 1.  From fragment to clinical candidate--a historical perspective.

Authors:  Gianni Chessari; Andrew J Woodhead
Journal:  Drug Discov Today       Date:  2009-05-07       Impact factor: 7.851

Review 2.  Recent progress in fragment-based lead discovery.

Authors:  Michèle N Schulz; Roderick E Hubbard
Journal:  Curr Opin Pharmacol       Date:  2009-05-27       Impact factor: 5.547

Review 3.  Fragment-based ligand discovery.

Authors:  Marcus Fischer; Roderick E Hubbard
Journal:  Mol Interv       Date:  2009-02

Review 4.  Introduction to fragment-based drug discovery.

Authors:  Daniel A Erlanson
Journal:  Top Curr Chem       Date:  2012

5.  Experiences in fragment-based lead discovery.

Authors:  Roderick E Hubbard; James B Murray
Journal:  Methods Enzymol       Date:  2011       Impact factor: 1.600

Review 6.  Progress in discovery of small-molecule modulators of protein-protein interactions via fragment screening.

Authors:  Thomas V Magee
Journal:  Bioorg Med Chem Lett       Date:  2015-05-02       Impact factor: 2.823

7.  Learning from our mistakes: the 'unknown knowns' in fragment screening.

Authors:  Ben J Davis; Daniel A Erlanson
Journal:  Bioorg Med Chem Lett       Date:  2013-03-18       Impact factor: 2.823

Review 8.  Twenty years on: the impact of fragments on drug discovery.

Authors:  Daniel A Erlanson; Stephen W Fesik; Roderick E Hubbard; Wolfgang Jahnke; Harren Jhoti
Journal:  Nat Rev Drug Discov       Date:  2016-07-15       Impact factor: 84.694

9.  ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.

Authors:  Andrew J Souers; Joel D Leverson; Erwin R Boghaert; Scott L Ackler; Nathaniel D Catron; Jun Chen; Brian D Dayton; Hong Ding; Sari H Enschede; Wayne J Fairbrother; David C S Huang; Sarah G Hymowitz; Sha Jin; Seong Lin Khaw; Peter J Kovar; Lloyd T Lam; Jackie Lee; Heather L Maecker; Kennan C Marsh; Kylie D Mason; Michael J Mitten; Paul M Nimmer; Anatol Oleksijew; Chang H Park; Cheol-Min Park; Darren C Phillips; Andrew W Roberts; Deepak Sampath; John F Seymour; Morey L Smith; Gerard M Sullivan; Stephen K Tahir; Chris Tse; Michael D Wendt; Yu Xiao; John C Xue; Haichao Zhang; Rod A Humerickhouse; Saul H Rosenberg; Steven W Elmore
Journal:  Nat Med       Date:  2013-01-06       Impact factor: 53.440

Review 10.  Vemurafenib: the first drug approved for BRAF-mutant cancer.

Authors:  Gideon Bollag; James Tsai; Jiazhong Zhang; Chao Zhang; Prabha Ibrahim; Keith Nolop; Peter Hirth
Journal:  Nat Rev Drug Discov       Date:  2012-10-12       Impact factor: 84.694

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  1 in total

1.  A Lead-Based Fragment Library Screening of the Glycosyltransferase WaaG from Escherichia coli.

Authors:  Federico Riu; Alessandro Ruda; Olof Engström; Claudio Muheim; Hani Mobarak; Jonas Ståhle; Paul Kosma; Antonio Carta; Daniel O Daley; Göran Widmalm
Journal:  Pharmaceuticals (Basel)       Date:  2022-02-09
  1 in total

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