The core members of SMSDrug.net have provided the following selection of publications with relevance to Chemical Biology in the UK:
2012
A. Gaulton, L.J. Bellis, A.P. Bento, J. Chambers, M. Davies, A. Hersey, Y. Light, S. McGlinchey, D. Michalovich, B. Al-Lazikani and J.P. Overington (2012). “ChEMBL: a large-scale bioactivity database for drug discovery.” Nucleic Acids Research 40(D1): D1100-D1107.
F.A. Kruger and J.P. Overington (2012). “Global Analysis of Small Molecule Binding to Related Protein Targets.” Plos Computational Biology 8(1).
H.Y. Alniss, N.G. Anthony, A.I. Khalaf, S.P. Mackay, C.J. Suckling, R.D. Waigh, N.J. Wheate and J.A. Parkinson (2012). “Rationalising sequence selection by ligand assemblies in the DNA minor groove: the case for thiazotropsin A.” Chemical Science 3(3): 711-722.
F. Wang, J.A.D. Good, O. Rath, H.Y.K. Kaan, O.B. Sutcliffe, S.P. Mackay and F. Kozielski (2012). “Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity.” Journal of Medicinal Chemistry 55(4): 1511-1525.
C.J. Adams, A.C.W. Pike, S. Maniam, T.D. Sharpe, A.S. Coutts, S. Knapp, N.B. La Thangue and A.N. Bullock (2012). “The p53 cofactor Strap exhibits an unexpected TPR motif and oligonucleotide-binding (OB)-fold structure.” Proceedings of the National Academy of Sciences of the United States of America 109(10): 3778-3783.
M.A. Chapman, S. Tang, D. Draeger, S. Nambeesan, H. Shaffer, J.G. Barb, S.J. Knapp and J.M. Burke (2012). “Genetic Analysis of Floral Symmetry in Van Gogh’s Sunflowers Reveals Independent Recruitment of CYCLOIDEA Genes in the Asteraceae.” Plos Genetics 8(3).
J.M. Elkins, S. Santaguida, A. Musacchio and S. Knapp (2012). “Crystal Structure of Human Aurora B in Complex with INCENP and VX-680.” Journal of medicinal chemistry 55(17): 7841-7848.
J. Eswaran, S. Gupta, A. Dutt, M. Toi, M.R. Pillai, L. Costa, S. Knapp, R. Badwe, R. Kumar and C. Global Canc Genomics (2012). “The Global Cancer Genomics Consortium: Interfacing Genomics and Cancer Medicine.” Cancer Research 72(15): 3720-3724.
P. Filippakopoulos, S. Picaud, M. Mangos, T. Keates, J.-P. Lambert, D. Barsyte-Lovejoy, I. Felletar, R. Volkmer, S. Mueller, T. Pawson, A.-C. Gingras, C.H. Arrowsmith and S. Knapp (2012). “Histone Recognition and Large-Scale Structural Analysis of the Human Bromodomain Family.” Cell 149(1): 214-231.
A. Pasquo, V. Consalvi, S. Knapp, I. Alfano, M. Ardini, S. Stefanini and R. Chiaraluce (2012). “Structural Stability of Human Protein Tyrosine Phosphatase rho Catalytic Domain: Effect of Point Mutations.” Plos One 7(2).
J. Spencer, J. Amin, R. Boddiboyena, G. Packham, B.E. Cavell, S.S. Syed Alwi, R.M. Paranal, T.D. Heightman, M. Wang, B. Marsden, P. Coxhead, M. Guille, G.J. Tizzard, S.J. Coles and J.E. Bradner (2012). “Click JAHAs: Conformationally Restricted Ferrocene-based Histone Deacetylase Inhibitors” Med.Chem. Commun. 3 61-64. (cover article)
G.J.P. van Westen, O.O. van den Hoven, R. van der Pijl, T. Mulder-Krieger, H. de Vries, J.K. Wegner, A.P. IJzerman, H.W.T. Van Vlijmen, and A. Bender (2012). “Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data.” J. Med. Chem., 55 (16), 7010–7020.
R. Lane, C.K. Herenbrink, G.J.P. van Westen, J.A. Spoorendonk, C. Hoffmann, A.P. IJzerman (2012). “A Novel Non-ribose Agonist, LUF5834, Engages Distinct Residues from that of Adenosine-like Ligands to Activate the Adenosine A2A Receptor.” Molecular Pharmacology 81 (3) 475-487
2011
L.J. Bellis, R. Akhtar, B. Al-Lazikani, F. Atkinson, A.P. Bento, J. Chambers, M. Davies, A. Gaulton, A. Hersey, K. Ikeda, F.A. Krueger, Y. Light, S. McGlinchey, R. Santos, B. Stauch and J.P. Overington (2011). “Collation and data-mining of literature bioactivity data for drug discovery.” Biochemical Society Transactions 39: 1365-1370.
A.L. Hopkins, G.R. Bickerton, I.M. Carruthers, S.K. Boyer, H. Rubin and J.P. Overington (2011). “Rapid Analysis of Pharmacology for Infectious Diseases.” Current Topics in Medicinal Chemistry 11(10): 1292-1300.
A. Arshad, H. Osman, M.C. Bagley, C.K. Lam, S. Mohamad and A.S.M. Zahariluddin (2011). “Synthesis and antimicrobial properties of some new thiazolyl coumarin derivatives.” European Journal of Medicinal Chemistry 46(9): 3788-3794.
G.B. Deutsch, E.M. Zielonka, D. Coutandin, T.A. Weber, B. Schaefer, J. Hannewald, L.M. Luh, F.G. Durst, M. Ibrahim, J. Hoffmann, F.H. Niesen, A. Sentuerk, H. Kunkel, B. Brutschy, E. Schleiff, S. Knapp, A. Acker-Palmer, M. Grez, F. McKeon and V. Doetsch (2011). “DNA Damage in Oocytes Induces a Switch of the Quality Control Factor TAp63 alpha from Dimer to Tetramer.” Cell 144(4): 566-576
C.V. Miduturu, X. Deng, N. Kwiatkowski, W. Yang, L. Brault, P. Filippakopoulos, E. Chung, Q. Yang, J. Schwaller, S. Knapp, R.W. King, J.-D. Lee, S. Herrgard, P. Zarrinkar and N.S. Gray (2011). “High-Throughput Kinase Profiling: A More Efficient Approach toward the Discovery of New Kinase Inhibitors.” Chemistry & Biology 18(7): 868-879.
J. Spencer, R.P. Rathnam, A.L. Harvey, C.J. Clements, R.L. Clark, M.P. Barrett, P.E. Wong, L. Male, S.J. Coles and S.P. Mackay (2011). “Synthesis and Biological Evaluation of 1,4-Benzodiazepin-2-ones with Antitrypanosomal Activity.” Biorg. Med. Chem. 19(5) 1802-1815.
J. Spencer, J. Amin, T.D. Heightman, G. Packham, R.M. Paranal, J.E. Bradner, G. Tizzard and S.J. Coles (2011). “Synthesis and Biological Evaluation of JAHAs: Ferrocene-based Class I Histone Deacetylase Inhibitors.” ACS MedChem Lett, 2(5) 358-362.
G.J.P. van Westen, J.K. Wegner, P. Geluykens, L. Kwanten, I. Vereycken, A. Peeters, A.P. IJzerman, H.W.T. van Vlijmen and A. Bender (2011). “Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development” PLoS ONE 6 (11), e27518
M.C. Peeters, G.J.P. van Westen, Q. Li and A.P. IJzerman (2011). “The importance of the extracellular loops in G protein-coupled receptors for ligand recognition and receptor activation.” Trends in Pharmacological Sciences 32 (1), 35-42
G. J.P. van Westen, J. K. Wegner, A.P. IJzerman, H. W.T. van Vlijmen and A. Bender (2011). “Proteochemometric Modeling as a Tool to Design Selective Compounds and for Extrapolating to Novel Targets” Medicinal Chemistry Communications 2, 16-30
2010
N. Al-Shar’i, B. Al-Jaidi, B.F. Johnston, M.N. Robertson, S.P. Mackay and R.L. Clark (2010). “The Drug Discovery Portal Library: a unique resource to enhance drug discovery in academia.” Journal of Pharmacy and Pharmacology 62(10): 1382-1382.
R.L. Clark, B.F. Johnston, S.P. Mackay, C.J. Breslin, M.N. Robertson and A.L. Harvey (2010). “The Drug Discovery Portal: a resource to enhance drug discovery from academia.” Drug Discovery Today 15(15-16): 679-683.
R.L. Clark, B.F. Johnston, S.P. Mackay, C.J. Breslin, M.N. Robertson, O.B. Sutcliffe, M.J. Dufton and A.L. Harvey (2010). “The Drug Discovery Portal: A Computational Platform for Identifying Drug Leads from Academia.” Current Pharmaceutical Design 16(15): 1697-1702.
A.L. Harvey, R.L. Clark, S.P. Mackay and B.F. Johnston (2010). “Current strategies for drug discovery through natural products.” Expert Opinion on Drug Discovery 5(6): 559-568.
T. Davis, M.A. Bachler, F.S. Wyllie, M.C. Bagley and D. Kipling (2010). Evaluating the role of p38 MAP kinase in growth of Werner syndrome fibroblasts. Aging, Cancer, and Age-Related Diseases: Common Mechanism? R. M. Tanguay. 1197: 45-48.
