Professor Roderick E Hubbard Publications

2009 2008 2007 2006 2005 2004 2003 2002 2001

2009

  • Fragment-based ligand discovery.
    M Fischer and R E Hubbard, Mol Interv, 2009, 9, 22-30.

2008

  • Fragment approaches in structure-based drug discovery.
    R E Hubbard, J Synchrotron Radiat, 2008, 15, 227-30.
  • NVP-AUY922: a novel heat shock protein 90 inhibitor active against xenograft tumor growth, angiogenesis, and metastasis.
    S A Eccles, A Massey, F I Raynaud, S Y Sharp, G Box, M Valenti, L Patterson, A de Haven Brandon, S Gowan, F Boxall, W Aherne, M Rowlands, A Hayes, V Martins, F Urban, K Boxall, C Prodromou, L Pearl, K James, T P Matthews, K M Cheung, A Kalusa, K Jones, E McDonald, X Barril, P A Brough, J E Cansfield, B Dymock, M J Drysdale, H Finch, R Howes, R E Hubbard, A Surgenor, P Webb, M Wood, LWright and P Workman, Cancer Res., 2008, 68, 2850-2860.
  • 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer.
    P A Brough, W Aherne, X Barril, J Borgognoni, K Boxall, J E Cansfield, K M Cheung, I Collins, N G Davies, M J Drysdale, B Dymock, S A Eccles, H Finch, A Fink, A Hayes, R Howes, R E Hubbard, K James, A M Jordan, A Lockie, V Martins, A Massey, T P Matthews, E McDonald, C J Northfield, L H Pearl, C Prodromou, S Ray, F I RaynaudI, S D Roughley, S Y Sharp, A Surgenor, D L Walmsley, P Webb, M Wood, P Workman and LWright, J. Med. Chem., 2008, 51, 196-218.

2007

  • Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues.
    S Y Sharp, C Prodromou, K Boxall, M V Powers, J L Holmes, G Box, T P Matthews, K M Cheung, A Kalusa, K James, A Hayes, A Hardcastle, B Dymock, P A Brough, X Barril, J E Cansfield, L Wright, A Surgenor, N Foloppe, R E Hubbard, W Aherne, L Pearl, K Jones, E McDonald, F Raynaud, S Eccles, M Drysdale and P Workman, Mol Cancer Ther, 2007, 6, 1198-1211.
  • Informatics and modelling challenges in fragment-based drug discovery.
    R E Hubbard, I Chen and B Davis, Current Opinion in Drug Discovery and Development, 2007, 10, 289-297.
  • The SeeDs approach: Integrating Fragments into Drug Discovery.
    R E Hubbard, L Chen, B Davis and M Drysdale, Current Topics Medicinal Chemistry, 2007, 7, 1568-1581.
  • Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping.
    C M Richardson, C L Nunns, D S Williamson, M J Parratt, P Dokurno, R Howes, J Borgognoni, M J Drysdale, H Finch, R E Hubbard, P S Jackson, P Kierstan, G Lentzen, J D Moore, J B Murray, H Simmonite, A E Surgenor and C J Torrange, Biorg Med Chem Lett, 2007, 17, 3880-3885.

2006

  • “Structure-Based Drug Discovery: An Overview”
    ed, R E Hubbard, Royal Society of Chemistry, Biomolecular Science Series, ISBN-10: 0-85404-351-9, London, 2006
  • sgTarget: a target selection resource for structural genomics.
    A P Rodrigues, B J Grant and R E Hubbard, Nucleic Acids Res, 2006, 34, 225-230.
  • Fragment-based drug discovery.
    R E Hubbard, Global Outsourcing Review, 2006, 8, 54-58

2005

  • Delineation of a unique protein-protein interaction site on the surface of the estrogen receptor.
    E H Kong, N Heldring, J A Gustafsson, E Treuter, R E Hubbard, A C W Pike, PNAS, 2005, 102, 3593-3598.
  • Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design.
    B W Dymock, X Barril, P A Brough, J E Cansfield, A Massey, E McDonald, R E Hubbard, A Surgenor, S D Roughley, P Webb, P Workman, L Wright and M J Drysdale, J Med Chem, 2005, 48, 4212-4215.
  • Structure-based discovery of a new class of Hsp90 inhibitors.
    X Barril, P Brough, M Drysdale, R E Hubbard, A Massey, A Surgenor and L Wright, Bioorg Med Chem Lett, 2005, 15, 5187-5191
  • 3D structure and the drug-discovery process.
    R E Hubbard, Mol Biosyst, 2005, 1, 391-406

2004

  • Adenine derived inhibitors of the molecular chaperone HSP90 – SAR explained through multiple crystal structures.
    B Dymock, X Barril, M Beswick, A Collier, N Davies, M Drysdale, A Fink, C Fromont, R E Hubbard, A Massey, A Surgenor and L Wright et al, Bioorg Med Chem Lett, 2004, 19, 325-328.
  • Drug-like annotation and duplicate analysis of a 23-suppliers chemical database totalling 2.7M structures.
    N Baurin, R Baker, C Richardson, I Chen, N Foloppe, A Potter, A Jordan, S Roughley, M Parratt, P Greaney, D Morley and R E Hubbard, J Chem Inf Comp Sci, 2004, 44, 643-651.
  • Structure-Activity Relationships in purine-based inhibitor binding to HSP90 isoforms.
    L Wright, X Barril, B Dymock, L Sheridan, A Surgenor, M Beswick, M Drysdale, A Collier, A Massey, N Davies, A Fink, C Fromont, W Aherne, K Boxall, S Sharp, P Workman and R E Hubbard, Chem Biol, 2004, 11, 775-786.
  • Virtual screening in Structure-Based Drug Design.
    Y Barril, R E Hubbard and S D Morley, Mini-Reviews in Medicinal Chemistry, 2004, 4, 779-791.
  • Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets.
    N Baurin, F Aboul-Ela, X Barril, B Davis, M Drysdale, B Dymock, H Finch, C Fromont, C Richardson, H Simmonite and R E Hubbard, J Chem Inf Comp Sci, 2004, 44, 2157-2166.

2003

  • Structure and mechanism of the estrogen receptor.
    E H Kong, A C W Pike and R E Hubbard, Biochem Soc Trans, 2003, 31, 56-59.
  • Analysis and optimisation of structure-based virtual screening protocols (3). New methods and old problems in scoring function design.
    R Smith, R E Hubbard, D A Gschwend, A R Leach and A C Good, J Mol Graph and Modelling, 2003, 22, 41-53.
  • Making decisions in structural genomics.
    A Rodrigues and R E Hubbard, Briefings in Bioinformatics, 2003, 4, 150-167.

2002

  • Structure of a Cys25->Ser mutant of human cathepsin S.
    J P Turkenburg, M B A C Lamers, A M Brzozowski, L M Wright, R E Hubbard, S L Sturt and D H Williams, Acta Crystallogr D: Biol Crystallogr, 2002, 58, 451-455.
  • Interaction of transcriptional intermediary factor 2 nuclear receptor box peptides with the coactivator binding site of estrogen receptor alpha.
    A Warnmark, E Treuter, J A Gustafsson, R E Hubbard, A M Brzozowski, A C W Pike, J Biol Chem, 2002, 277, 21862-21868

2001

  • Structural insights into the mode of action of a pure antiestrogen.
    A C W Pike, A M Brzozowski, J Walton, R E Hubbard, A G Thorsell, Y L Li, J A Gustafsson and M Carlquist, Structure, 2001, 9, 145-153.
  • Experimental and computational mapping of the binding surface of a crystalline protein.
    A C English, C R Groom and R E Hubbard, Prot Eng, 2001, 14, 47-59
  • Understanding the mechanism of ice binding by type III antifreeze proteins.
    A A Antson, D J Smith, D I Roper, S Lewis, L S D Caves, C S Verma, S L Buckley, P J Lillford and R E Hubbard, J Mol Biol, 2001, 305, 875-889.