Literature DB >> 19427404

From fragment to clinical candidate--a historical perspective.

Gianni Chessari1, Andrew J Woodhead.   

Abstract

As recently as ten years ago few scientists had heard of fragment screening, let alone considered low molecular weight fragments (MW <300) with weak binding affinities to be attractive start points for drug discovery programmes. Today, however, there is widespread acceptance that these fragments can be progressed into lead series and on to become clinical candidates. Consequently, over the past three to four years, fragment-based drug discovery has become firmly established within the biotechnology and pharmaceutical industries as a complimentary strategy to high-throughput screening. In this review, we give a historical perspective of how rapidly fragment-based drug discovery has developed and describe a number of clinical compounds discovered using this approach.

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Year:  2009        PMID: 19427404     DOI: 10.1016/j.drudis.2009.04.007

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  39 in total

1.  Hit clustering can improve virtual fragment screening: CDK2 and PARP1 case studies.

Authors:  Alexey A Zeifman; Victor S Stroylov; Fedor N Novikov; Oleg V Stroganov; Alexandra L Zakharenko; Svetlana N Khodyreva; Olga I Lavrik; Ghermes G Chilov
Journal:  J Mol Model       Date:  2011-11-09       Impact factor: 1.810

2.  Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.

Authors:  Till Maurer; Lindsay S Garrenton; Angela Oh; Keith Pitts; Daniel J Anderson; Nicholas J Skelton; Benjamin P Fauber; Borlan Pan; Shiva Malek; David Stokoe; Mary J C Ludlam; Krista K Bowman; Jiansheng Wu; Anthony M Giannetti; Melissa A Starovasnik; Ira Mellman; Peter K Jackson; Joachim Rudolph; Weiru Wang; Guowei Fang
Journal:  Proc Natl Acad Sci U S A       Date:  2012-03-19       Impact factor: 11.205

3.  Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.

Authors:  Hernani Leonardo Silvestre; Thomas L Blundell; Chris Abell; Alessio Ciulli
Journal:  Proc Natl Acad Sci U S A       Date:  2013-07-19       Impact factor: 11.205

4.  Identifying ligand-binding hot spots in proteins using brominated fragments.

Authors:  Morten K Grøftehauge; Martin Ø Therkelsen; Rolf Taaning; Troels Skrydstrup; J Preben Morth; Poul Nissen
Journal:  Acta Crystallogr Sect F Struct Biol Cryst Commun       Date:  2013-08-19

5.  A three-stage biophysical screening cascade for fragment-based drug discovery.

Authors:  Ellene H Mashalidis; Paweł Śledź; Steffen Lang; Chris Abell
Journal:  Nat Protoc       Date:  2013-10-24       Impact factor: 13.491

Review 6.  The impact of GPCR structures on pharmacology and structure-based drug design.

Authors:  Miles Congreve; Fiona Marshall
Journal:  Br J Pharmacol       Date:  2009-11-13       Impact factor: 8.739

Review 7.  Targeting protein kinases in central nervous system disorders.

Authors:  Laura K Chico; Linda J Van Eldik; D Martin Watterson
Journal:  Nat Rev Drug Discov       Date:  2009-11       Impact factor: 84.694

8.  Fragment-based lead discovery: challenges and opportunities.

Authors:  Chaohong Sun; Andrew M Petros; Philip J Hajduk
Journal:  J Comput Aided Mol Des       Date:  2011-07-06       Impact factor: 3.686

9.  Fragment Screening by NMR.

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

10.  Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5.

Authors:  Yuemin Bian; Zhiwei Feng; Peng Yang; Xiang-Qun Xie
Journal:  AAPS J       Date:  2017-05-30       Impact factor: 4.009

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