Literature DB >> 21371604

Experiences in fragment-based lead discovery.

Roderick E Hubbard1, James B Murray.   

Abstract

This chapter summarizes the experience at Vernalis over the past decade in developing and applying fragment-based discovery methods across a range of different targets. The emphasis will be on the practical aspects of the different biophysical techniques (surface plasmon resonance (SPR), differential scanning fluorimetry (DSF), isothermal titration calorimetry, nuclear magnetic resonance, and X-ray crystallography) that can be used to identify fragments that bind to targets and a discussion of the criteria and strategies for selecting and evolving fragments to lead compounds.
Copyright © 2011 Elsevier Inc. All rights reserved.

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Year:  2011        PMID: 21371604     DOI: 10.1016/B978-0-12-381274-2.00020-0

Source DB:  PubMed          Journal:  Methods Enzymol        ISSN: 0076-6879            Impact factor:   1.600


  28 in total

1.  Hot spot analysis for driving the development of hits into leads in fragment-based drug discovery.

Authors:  David R Hall; Chi Ho Ngan; Brandon S Zerbe; Dima Kozakov; Sandor Vajda
Journal:  J Chem Inf Model       Date:  2011-12-15       Impact factor: 4.956

2.  Ligand deconstruction: Why some fragment binding positions are conserved and others are not.

Authors:  Dima Kozakov; David R Hall; Stefan Jehle; Sefan Jehle; Lingqi Luo; Stefan O Ochiana; Elizabeth V Jones; Michael Pollastri; Karen N Allen; Adrian Whitty; Sandor Vajda
Journal:  Proc Natl Acad Sci U S A       Date:  2015-04-27       Impact factor: 11.205

Review 3.  Targeting cancer with kinase inhibitors.

Authors:  Stefan Gross; Rami Rahal; Nicolas Stransky; Christoph Lengauer; Klaus P Hoeflich
Journal:  J Clin Invest       Date:  2015-05-01       Impact factor: 14.808

4.  Fragment Screening by NMR.

Authors:  Ben J Davis
Journal:  Methods Mol Biol       Date:  2021

Review 5.  Oncogenic protein interfaces: small molecules, big challenges.

Authors:  Tracy L Nero; Craig J Morton; Jessica K Holien; Jerome Wielens; Michael W Parker
Journal:  Nat Rev Cancer       Date:  2014-03-13       Impact factor: 60.716

6.  Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes.

Authors:  Xiao-Ping Li; Rajesh K Harijan; Jennifer N Kahn; Vern L Schramm; Nilgun E Tumer
Journal:  ACS Infect Dis       Date:  2020-06-08       Impact factor: 5.084

7.  NMR-based platform for fragment-based lead discovery used in screening BRD4-targeted compounds.

Authors:  Jun-Lan Yu; Tian-Tian Chen; Chen Zhou; Fu-Lin Lian; Xu-Long Tang; Yi Wen; Jing-Kang Shen; Ye-Chun Xu; Bing Xiong; Nai-Xia Zhang
Journal:  Acta Pharmacol Sin       Date:  2016-05-30       Impact factor: 6.150

8.  Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery.

Authors:  Amanda E Wakefield; Christine Yueh; Dmitri Beglov; Marcelo S Castilho; Dima Kozakov; György M Keserű; Adrian Whitty; Sandor Vajda
Journal:  J Chem Inf Model       Date:  2020-12-08       Impact factor: 4.956

9.  Fragment screening of cyclin G-associated kinase by weak affinity chromatography.

Authors:  Elinor Meiby; Stefan Knapp; Jonathan M Elkins; Sten Ohlson
Journal:  Anal Bioanal Chem       Date:  2012-08-24       Impact factor: 4.142

Review 10.  Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery.

Authors:  David R Hall; Dima Kozakov; Adrian Whitty; Sandor Vajda
Journal:  Trends Pharmacol Sci       Date:  2015-11-01       Impact factor: 14.819

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