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Journal Abstract Search

242 related items for PubMed ID: 11017052

  • 1. Discovering novel ligands for macromolecules using X-ray crystallographic screening.
    Nienaber VL, Richardson PL, Klighofer V, Bouska JJ, Giranda VL, Greer J.
    Nat Biotechnol; 2000 Oct; 18(10):1105-8. PubMed ID: 11017052
    [Abstract] [Full Text] [Related]

  • 2. Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.
    Mizutani MY, Itai A.
    J Med Chem; 2004 Sep 23; 47(20):4818-28. PubMed ID: 15369385
    [Abstract] [Full Text] [Related]

  • 3. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep 23; 12 Suppl 1():S101-18. PubMed ID: 17935268
    [Abstract] [Full Text] [Related]

  • 4. Fragment-based discovery of mexiletine derivatives as orally bioavailable inhibitors of urokinase-type plasminogen activator.
    Frederickson M, Callaghan O, Chessari G, Congreve M, Cowan SR, Matthews JE, McMenamin R, Smith DM, Vinković M, Wallis NG.
    J Med Chem; 2008 Jan 24; 51(2):183-6. PubMed ID: 18163548
    [Abstract] [Full Text] [Related]

  • 5. Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.
    Sanders WJ, Nienaber VL, Lerner CG, McCall JO, Merrick SM, Swanson SJ, Harlan JE, Stoll VS, Stamper GF, Betz SF, Condroski KR, Meadows RP, Severin JM, Walter KA, Magdalinos P, Jakob CG, Wagner R, Beutel BA.
    J Med Chem; 2004 Mar 25; 47(7):1709-18. PubMed ID: 15027862
    [Abstract] [Full Text] [Related]

  • 6. High-throughput X-ray crystallography for drug discovery.
    Blundell TL, Patel S.
    Curr Opin Pharmacol; 2004 Oct 25; 4(5):490-6. PubMed ID: 15351354
    [Abstract] [Full Text] [Related]

  • 7. Novel prostaglandin D synthase inhibitors generated by fragment-based drug design.
    Hohwy M, Spadola L, Lundquist B, Hawtin P, Dahmén J, Groth-Clausen I, Nilsson E, Persdotter S, von Wachenfeldt K, Folmer RH, Edman K.
    J Med Chem; 2008 Apr 10; 51(7):2178-86. PubMed ID: 18341273
    [Abstract] [Full Text] [Related]

  • 8. Determining the structural basis for specificity of ligands using crystallographic screening.
    de Azevedo WF, Canduri F, Basso LA, Palma MS, Santos DS.
    Cell Biochem Biophys; 2006 Apr 10; 44(3):405-11. PubMed ID: 16679527
    [Abstract] [Full Text] [Related]

  • 9. A new strategy for improved secondary screening and lead optimization using high-resolution SPR characterization of compound-target interactions.
    Huber W.
    J Mol Recognit; 2005 Apr 10; 18(4):273-81. PubMed ID: 15997470
    [Abstract] [Full Text] [Related]

  • 10. Crystallographic study of inhibitors of tRNA-guanine transglycosylase suggests a new structure-based pharmacophore for virtual screening.
    Brenk R, Meyer EA, Reuter K, Stubbs MT, Garcia GA, Diederich F, Klebe G.
    J Mol Biol; 2004 Apr 16; 338(1):55-75. PubMed ID: 15050823
    [Abstract] [Full Text] [Related]

  • 11. Fragment-based lead discovery using X-ray crystallography.
    Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H.
    J Med Chem; 2005 Jan 27; 48(2):403-13. PubMed ID: 15658854
    [Abstract] [Full Text] [Related]

  • 12. Structure-directed discovery of potent non-peptidic inhibitors of human urokinase that access a novel binding subsite.
    Nienaber VL, Davidson D, Edalji R, Giranda VL, Klinghofer V, Henkin J, Magdalinos P, Mantei R, Merrick S, Severin JM, Smith RA, Stewart K, Walter K, Wang J, Wendt M, Weitzberg M, Zhao X, Rockway T.
    Structure; 2000 May 15; 8(5):553-63. PubMed ID: 10801494
    [Abstract] [Full Text] [Related]

  • 13. Synthesis and structure based optimization of novel Akt inhibitors.
    Lippa B, Pan G, Corbett M, Li C, Kauffman GS, Pandit J, Robinson S, Wei L, Kozina E, Marr ES, Borzillo G, Knauth E, Barbacci-Tobin EG, Vincent P, Troutman M, Baker D, Rajamohan F, Kakar S, Clark T, Morris J.
    Bioorg Med Chem Lett; 2008 Jun 01; 18(11):3359-63. PubMed ID: 18456494
    [Abstract] [Full Text] [Related]

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  • 15. Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
    Gill AL, Frederickson M, Cleasby A, Woodhead SJ, Carr MG, Woodhead AJ, Walker MT, Congreve MS, Devine LA, Tisi D, O'Reilly M, Seavers LC, Davis DJ, Curry J, Anthony R, Padova A, Murray CW, Carr RA, Jhoti H.
    J Med Chem; 2005 Jan 27; 48(2):414-26. PubMed ID: 15658855
    [Abstract] [Full Text] [Related]

  • 16. Structure-guided fragment screening for lead discovery.
    Verdonk ML, Hartshorn MJ.
    Curr Opin Drug Discov Devel; 2004 Jul 27; 7(4):404-10. PubMed ID: 15338949
    [Abstract] [Full Text] [Related]

  • 17. Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA).
    West CW, Adler M, Arnaiz D, Chen D, Chu K, Gualtieri G, Ho E, Huwe C, Light D, Phillips G, Pulk R, Sukovich D, Whitlow M, Yuan S, Bryant J.
    Bioorg Med Chem Lett; 2009 Oct 01; 19(19):5712-5. PubMed ID: 19703768
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  • 20. Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
    Schormann N, Senkovich O, Walker K, Wright DL, Anderson AC, Rosowsky A, Ananthan S, Shinkre B, Velu S, Chattopadhyay D.
    Proteins; 2008 Dec 01; 73(4):889-901. PubMed ID: 18536013
    [Abstract] [Full Text] [Related]

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