Literature DB >> 23906694

Fragment-based hit identification: thinking in 3D.

Andrew D Morley1, Angelo Pugliese, Kristian Birchall, Justin Bower, Paul Brennan, Nathan Brown, Tim Chapman, Martin Drysdale, Ian H Gilbert, Swen Hoelder, Allan Jordan, Steven V Ley, Andy Merritt, David Miller, Martin E Swarbrick, Paul G Wyatt.   

Abstract

The identification of high-quality hits during the early phases of drug discovery is essential if projects are to have a realistic chance of progressing into clinical development and delivering marketed drugs. As the pharmaceutical industry goes through unprecedented change, there are increasing opportunities to collaborate via pre-competitive networks to marshal multifunctional resources and knowledge to drive impactful, innovative science. The 3D Fragment Consortium is developing fragment-screening libraries with enhanced 3D characteristics and evaluating their effect on the quality of fragment-based hit identification (FBHI) projects.
Copyright © 2013 Elsevier Ltd. All rights reserved.

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Year:  2013        PMID: 23906694     DOI: 10.1016/j.drudis.2013.07.011

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


  37 in total

Review 1.  Expanding the medicinal chemistry synthetic toolbox.

Authors:  Jonas Boström; Dean G Brown; Robert J Young; György M Keserü
Journal:  Nat Rev Drug Discov       Date:  2018-08-24       Impact factor: 84.694

Review 2.  Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.

Authors:  Duncan E Scott; Andrew R Bayly; Chris Abell; John Skidmore
Journal:  Nat Rev Drug Discov       Date:  2016-04-11       Impact factor: 84.694

Review 3.  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

4.  Access to 3D Alicyclic Amine-Containing Fragments through Transannular C-H Arylation.

Authors:  Melissa Lee; Ashley Adams; Philip B Cox; Melanie S Sanford
Journal:  Synlett       Date:  2019-02-05       Impact factor: 2.170

5.  The Growing Importance of Chirality in 3D Chemical Space Exploration and Modern Drug Discovery Approaches for Hit-ID: Topical Innovations.

Authors:  Ilaria Proietti Silvestri; Paul J J Colbon
Journal:  ACS Med Chem Lett       Date:  2021-07-16       Impact factor: 4.632

6.  Copper-Catalyzed Cross-Coupling of Benzylic C-H Bonds and Azoles with Controlled N-Site Selectivity.

Authors:  Si-Jie Chen; Dung L Golden; Shane W Krska; Shannon S Stahl
Journal:  J Am Chem Soc       Date:  2021-08-31       Impact factor: 16.383

7.  On the origins of three-dimensionality in drug-like molecules.

Authors:  Joshua Meyers; Michael Carter; N Yi Mok; Nathan Brown
Journal:  Future Med Chem       Date:  2016-08-30       Impact factor: 3.808

8.  Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion.

Authors:  Sarah L Kidd; Elaine Fowler; Till Reinhardt; Thomas Compton; Natalia Mateu; Hector Newman; Dom Bellini; Romain Talon; Joseph McLoughlin; Tobias Krojer; Anthony Aimon; Anthony Bradley; Michael Fairhead; Paul Brear; Laura Díaz-Sáez; Katherine McAuley; Hannah F Sore; Andrew Madin; Daniel H O'Donovan; Kilian V M Huber; Marko Hyvönen; Frank von Delft; Christopher G Dowson; David R Spring
Journal:  Chem Sci       Date:  2020-05-14       Impact factor: 9.825

9.  Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery.

Authors:  Christine N Morrison; Kathleen E Prosser; Ryjul W Stokes; Anna Cordes; Nils Metzler-Nolte; Seth M Cohen
Journal:  Chem Sci       Date:  2019-12-12       Impact factor: 9.969

Review 10.  Overcoming Chemical, Biological, and Computational Challenges in the Development of Inhibitors Targeting Protein-Protein Interactions.

Authors:  Luca Laraia; Grahame McKenzie; David R Spring; Ashok R Venkitaraman; David J Huggins
Journal:  Chem Biol       Date:  2015-06-18
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