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Page 1
Discovery and structure-activity relationship of potent and selective covalent inhibitors of transglutaminase 2 for Huntington's disease.
Prime ME, Andersen OA, Barker JJ, Brooks MA, Cheng RK, Toogood-Johnson I, Courtney SM, Brookfield FA, Yarnold CJ, Marston RW, Johnson PD, Johnsen SF, Palfrey JJ, Vaidya D, Erfan S, Ichihara O, Felicetti B, Palan S, Pedret-Dunn A, Schaertl S, Sternberger I, Ebneth A, Scheel A, Winkler D, Toledo-Sherman L, Beconi M, Macdonald D, Muñoz-Sanjuan I, Dominguez C, Wityak J. Prime ME, et al. Among authors: barker jj. J Med Chem. 2012 Feb 9;55(3):1021-46. doi: 10.1021/jm201310y. Epub 2012 Jan 27. J Med Chem. 2012. PMID: 22224594
Fragment-based identification of Hsp90 inhibitors.
Barker JJ, Barker O, Boggio R, Chauhan V, Cheng RK, Corden V, Courtney SM, Edwards N, Falque VM, Fusar F, Gardiner M, Hamelin EM, Hesterkamp T, Ichihara O, Jones RS, Mather O, Mercurio C, Minucci S, Montalbetti CA, Müller A, Patel D, Phillips BG, Varasi M, Whittaker M, Winkler D, Yarnold CJ. Barker JJ, et al. Among authors: barker o. ChemMedChem. 2009 Jun;4(6):963-6. doi: 10.1002/cmdc.200900011. ChemMedChem. 2009. PMID: 19301319
HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.
Wang G, Lei H, Wang X, Das D, Hong J, Mackinnon CH, Coulter TS, Montalbetti CA, Mears R, Gai X, Bailey SE, Ruhrmund D, Hooi L, Misialek S, Rajagopalan PT, Cheng RK, Barker JJ, Felicetti B, Schönfeld DL, Stoycheva A, Buckman BO, Kossen K, Seiwert SD, Beigelman L. Wang G, et al. Among authors: barker jj. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4480-3. doi: 10.1016/j.bmcl.2009.05.022. Epub 2009 May 9. Bioorg Med Chem Lett. 2009. PMID: 19500983
The multiple roles of computational chemistry in fragment-based drug design.
Law R, Barker O, Barker JJ, Hesterkamp T, Godemann R, Andersen O, Fryatt T, Courtney S, Hallett D, Whittaker M. Law R, et al. Among authors: barker jj, barker o. J Comput Aided Mol Des. 2009 Aug;23(8):459-73. doi: 10.1007/s10822-009-9284-1. Epub 2009 Jun 17. J Comput Aided Mol Des. 2009. PMID: 19533374
Cross-linking of protein crystals as an aid in the generation of binary protein-ligand crystal complexes, exemplified by the human PDE10a-papaverine structure.
Andersen OA, Schönfeld DL, Toogood-Johnson I, Felicetti B, Albrecht C, Fryatt T, Whittaker M, Hallett D, Barker J. Andersen OA, et al. Acta Crystallogr D Biol Crystallogr. 2009 Aug;65(Pt 8):872-4. doi: 10.1107/S0907444909017855. Epub 2009 Jul 17. Acta Crystallogr D Biol Crystallogr. 2009. PMID: 19622871
Fragment-based discovery of BACE1 inhibitors using functional assays.
Godemann R, Madden J, Krämer J, Smith M, Fritz U, Hesterkamp T, Barker J, Höppner S, Hallett D, Cesura A, Ebneth A, Kemp J. Godemann R, et al. Biochemistry. 2009 Nov 17;48(45):10743-51. doi: 10.1021/bi901061a. Biochemistry. 2009. PMID: 19799414
Fragment-based discovery and optimization of BACE1 inhibitors.
Madden J, Dod JR, Godemann R, Kraemer J, Smith M, Biniszkiewicz M, Hallett DJ, Barker J, Dyekjaer JD, Hesterkamp T. Madden J, et al. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5329-33. doi: 10.1016/j.bmcl.2010.06.089. Epub 2010 Jun 27. Bioorg Med Chem Lett. 2010. PMID: 20656487
Discovery of a novel Hsp90 inhibitor by fragment linking.
Barker JJ, Barker O, Courtney SM, Gardiner M, Hesterkamp T, Ichihara O, Mather O, Montalbetti CA, Müller A, Varasi M, Whittaker M, Yarnold CJ. Barker JJ, et al. Among authors: barker o. ChemMedChem. 2010 Oct 4;5(10):1697-700. doi: 10.1002/cmdc.201000219. ChemMedChem. 2010. PMID: 20665758 No abstract available.
35 results