Publications
- Astex scientists have published in world-leading journals including Nature and Science
- Astex’s landmark Pyramid™ technology paper was the 2nd most cited article in J. Med. Chem. in 2005
- Astex had 3 papers in the American Chemical Society’s list of the top 10 most cited papers in J. Med. Chem in 2007
2009
Christopher W. Murray and David C. Rees
(2009) The rise of fragment based drug discovery
Nature Chemistry Vol 1, p187-192 (June 2009)
Day et al
(2009) Crystal structure of human CDK4 in complex with a D-type cyclin
PNAS, Vol. 106, No. 11, 4166-4170
Howard et al
(2009) Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi-targeted Kinase Inhibitor with Potent Aurora Kinase Activity
J. Med. Chem. 2009, 52, 379-388
2008
Verdonk et al
(2008) Protein Ligand Docking against Non-Native Protein Conformers
J. Chem. Inf. Model., 2008, 48 (11), pp 2214–2225
Marcel L. Verdonk and David C. Rees
(2008) Group Efficiency - a Guideline for Hits-to-Leads Chemistry
ChemMedChem, July 2008
Paul G. Wyatt, Andrew J. Woodhead, Valerio Berdini et al
(2008) Identification of N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
Journal of Medicinal Chemistry, July 2008
Miles Congreve et al
(2008) Recent Developments in Fragment-Based Drug Discovery
J. Med. Chem., 51 (13), pp3661-3680, 2008.
Frederickson et al
(2008) Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J. Med. Chem., 51 (2), 183–186, 2008. (Web Release date Dec 29 2007)
2007
P. Day, et al
(2007) Structure of a CBS-domain pair from the regulatory 1 subunit of human AMPK in complex with AMP and ZMP
Acta Cryst. (2007). D63, 587-596
Saxty et al
Identification of Inhibitors of Proetin Kinase B Using Fragment Based Drug Lead Discovery
J. Med. Chem. (Letter); 2007; 50(10); 2293-2296
Christopher W. Murray et al
(2007) Application of Fragment Screening by X-ray Crystallography to Beta-Secretase
J. Med. Chem.; 2007; 50(6) pp 1116 - 1123
Miles Congreve et al
(2007) Application of Fragment Screening by X-ray Crystallography to the Discovery of Aminopyridines as Inhibitors of Beta -Secretase
J. Med. Chem.; 2007; 50(6) pp 1124 - 1132
Michael J. Hartshorn, et al
(2007) Diverse, High-Quality Test Set for the Validation of Protein-Ligand Docking Performance
J.Med Chem, Vol 50: No 4, p 726-741
Jhoti Harren , Leach, Andrew (Eds.)
(2007) Structure Based Drug Discovery
Springer: 2007, XII, 252 p., Hardcover, ISBN: 978-1-4020-4406-9
2006
Davies Thomas G., et al
(2006) Pyramid: An integrated platform for fragment-based drug discovery
Fragment-based approaches in drug discovery: Volume 34, Chapter 10, pp193-214. Edited by W Jahnke and D. A. Erlanson. WILEY-VCG Verlag GmbH & Co. KGaA, Weinheim
Murray C. W., , Verdonk et al
(2006) Entropic consequences of linking ligands
Fragment-based approaches in drug discovery: Volume 34, Chapter 3, P55-66. Edited by W Jahnke and D. A. Erlanson. WILEY-VCG Verlag GmbH & Co. KGaA, Weinheim
Mooij W. T. M. et al
(2006) Automated Protein-Ligand Crystallography for Structure-Based Drug Design
ChemMedChem, vol. 1 (8) pp827-38
Howard, N., et al
(2006) Application of fragment screening and fragment linking to the discovery of novel Thrombin inhibitors
J. Med. Chem. 2006, 49(4), 1346-1355
2005
Hartshorn, M.J., et al
(2005) Fragment-based lead discovery using X-ray crystallography
J. Med. Chem, 48 (2) pp 403-413
Gill, A.L., et al
(2005) Identification of Novel p38 MAP Kinase Inhibitors Using Fragment-Based Lead Generation.
J. Med. Chem. 2005, 48(2) pp 414 - 426
Kirton, S.B., et al
(2005) Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.
Proteins 2005, 58, 836-844
Gill, A., et al
(2005) The Discovery of Novel Protein Kinase Inhibitors by Using Fragment-Based High-Throughput X-Ray Crystallography
ChemBioChem
Robin A.E. Carr Miles Congreve, Christopher W. Murray , David C. Rees
(2005) Fragment-based lead discovery: leads by design
Drug Discovery Today, Volume 10, Issue 14 , 15 July 2005, Pages 987-992
Miles Congreve, Christopher W. Murray and Tom L. Blundell
(2005) Keynote review: Structural biology and drug discovery
Drug Discovery Today, Volume 10, Issue 13 , 1 July 2005, Pages 895-907
Thompson N., Lyons J.
(2005) Recent Progress in targetting the Raf-MEK-ERK Pathway with Inhibitors in Cancer Drug Discovery
Current Opinions in Pharmacology, 2005, 5, 350-356
2004
Rees, D.C., et al
(2004) Fragment Based Lead Discovery
Nature Reviews Drug Discovery, 2004, Vol 3 660-672
Williams, P. A., et al
(2004) Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone,
Science 2004 Jul 30:305(5684): 683-686
Patel, S., et al
(2004) Apo and Inhibitor Complex Structures of BACE (β-secretase).
J. Mol. Biol. 2004, 343, 407-416
Tickle, I., et al
(2004) High Throughput Protein Crystallography and Drug Discovery.
Chem. Soc. Rev. 2004, 33, 558-565.
Gill, A. L.,
(2004) New lead generation strategies for protein kinase inhibitors - fragment based screening approaches
Mini-Reviews in Medicinal Chemistry (2004), 4(3), 301-311
Verdonk M. L. , Hartshorn, M. J.
(2004) Structure-guided fragment screening for lead discovery.
Curr. Opin. Drug Discov. Devel. 2004, 7, 404-410.
Verdonk, M. L., et al
(2004) Virtual screening using protein-ligand docking: avoiding artificial enrichment.
J. Chem. Inf. Comput. Sci. 2004, 44, 793-806.
2003
Williams, P.A., et al
(2003) Crystal structure of human cytochrome P450 2C9 with bound warfarin,
Nature, 2003 Jul 24;424(6947): 464-8
van Montfort, R.L.M., et al
(2003) Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 2003, June 12; 423: 773-777
Congreve, M.S. et al
(2003) A Rule of Three for fragment-based lead discovery?
Drug Discovery Today, Vol 8, Issue 19, 1 October 2003, 876-877
Congreve, M. S. et al
(2003) Detection of ligands from a dynamic combinatorial library by X-ray crystallography
Angewandte Chemie, International Edition (2003 ), 42(37), 4479-4482
Hartshorn, MJ.
(2003) AstexViewer™: a visualisation aid for structure-based drug design.
J Comput-Aided Drug Des 16: 871-881
Verdonk, M. L., et al
(2003) Improved protein-ligand docking using GOLD.
Proteins 2003, 52, 609-623.
Birch, L., et al
(2003) Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase.
J Comput-Aided Drug Des 16: 855-869
Watson P. Verdonk, M. , Hartshorn M.J.
(2003) A web-based platform for virtual screening
Journal of Molecular Graphic. & Modelling 22: 71-82
Sharff A. , Jhoti, H.
(2003) High-throughput crystallography to enhance drug discovery.
Curr Opp Chem Biol 7, 340-345
Frederickson M., Vuillard, L. et al
(2003) Novel selenium containing non-detergent sulphobetaines
Tetrahedron Letters, Volume 44, Issue 43, 20 October 2003, Pages 7925-7928
Yon J. , Jhoti, H.
(2003) High-throughput structural genomics and proteomics: where are we now?
Targets (2003 ), 2(5), 201-207
2002
Blundell T.L., Jhoti, H. et al
(2002) High-throughput crystallography for lead discovery in drug design.
Nature Reviews Drug Discovery 1: 45-54
Carr R. , Hann, M.
(2002) The right road to drug discovery?
Modern Drug Discovery April: 45-48.
Carr R. , Jhoti, H.
(2002) Structure-based screening of low affinity compounds.
Drug Disc Today 7 (9): 522-527
Murray C.W. , Verdonk, M.L.
(2002) The consequences of translational and rotational entropy lost by small molecules on binding to proteins.
J Comput-Aided Mol Des 16: 741-753.
2001
Jhoti, H.
(2001) High-throughput structural proteomics using X-rays.
Trends in Biotechnology 19 (10): S67-S71
Jhoti H.
(2001) Structural genomics - lessons to be learnt.
Drug Disc Today 6 (24): 1261-1262