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Journal Abstract Search

221 related items for PubMed ID: 12739938

  • 1. Ligand-based combinatorial design of selective purinergic receptor (A2A) antagonists using self-organizing maps.
    Schneider G, Nettekoven M.
    J Comb Chem; 2003; 5(3):233-7. PubMed ID: 12739938
    [Abstract] [Full Text] [Related]

  • 2. Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score.
    Chen G, Zheng S, Luo X, Shen J, Zhu W, Liu H, Gui C, Zhang J, Zheng M, Puah CM, Chen K, Jiang H.
    J Comb Chem; 2005; 7(3):398-406. PubMed ID: 15877468
    [Abstract] [Full Text] [Related]

  • 3. Concept of combinatorial de novo design of drug-like molecules by particle swarm optimization.
    Hartenfeller M, Proschak E, Schüller A, Schneider G.
    Chem Biol Drug Des; 2008 Jul; 72(1):16-26. PubMed ID: 18564216
    [Abstract] [Full Text] [Related]

  • 4. Synergism of virtual screening and medicinal chemistry: identification and optimization of allosteric antagonists of metabotropic glutamate receptor 1.
    Noeske T, Trifanova D, Kauss V, Renner S, Parsons CG, Schneider G, Weil T.
    Bioorg Med Chem; 2009 Aug 01; 17(15):5708-15. PubMed ID: 19574055
    [Abstract] [Full Text] [Related]

  • 5. Design, synthesis, and biological evaluation of new 8-heterocyclic xanthine derivatives as highly potent and selective human A2B adenosine receptor antagonists.
    Baraldi PG, Tabrizi MA, Preti D, Bovero A, Romagnoli R, Fruttarolo F, Zaid NA, Moorman AR, Varani K, Gessi S, Merighi S, Borea PA.
    J Med Chem; 2004 Mar 11; 47(6):1434-47. PubMed ID: 14998332
    [Abstract] [Full Text] [Related]

  • 6. Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa.
    Krovat EM, Frühwirth KH, Langer T.
    J Chem Inf Model; 2005 Mar 11; 45(1):146-59. PubMed ID: 15667140
    [Abstract] [Full Text] [Related]

  • 7. Synthetic library design.
    Huwe CM.
    Drug Discov Today; 2006 Aug 11; 11(15-16):763-7. PubMed ID: 16846805
    [Abstract] [Full Text] [Related]

  • 8. Substructure-based virtual screening for adenosine A2A receptor ligands.
    van der Horst E, van der Pijl R, Mulder-Krieger T, Bender A, Ijzerman AP.
    ChemMedChem; 2011 Dec 09; 6(12):2302-11. PubMed ID: 22021213
    [Abstract] [Full Text] [Related]

  • 9. Combined target-based and ligand-based drug design approach as a tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study.
    Moro S, Braiuca P, Deflorian F, Ferrari C, Pastorin G, Cacciari B, Baraldi PG, Varani K, Borea PA, Spalluto G.
    J Med Chem; 2005 Jan 13; 48(1):152-62. PubMed ID: 15634009
    [Abstract] [Full Text] [Related]

  • 10. The discovery and synthesis of novel adenosine receptor (A(2A)) antagonists.
    Matasi JJ, Caldwell JP, Hao J, Neustadt B, Arik L, Foster CJ, Lachowicz J, Tulshian DB.
    Bioorg Med Chem Lett; 2005 Mar 01; 15(5):1333-6. PubMed ID: 15713381
    [Abstract] [Full Text] [Related]

  • 11. Combinatorial QSAR modeling of specificity and subtype selectivity of ligands binding to serotonin receptors 5HT1E and 5HT1F.
    Wang XS, Tang H, Golbraikh A, Tropsha A.
    J Chem Inf Model; 2008 May 01; 48(5):997-1013. PubMed ID: 18470978
    [Abstract] [Full Text] [Related]

  • 12. Structure-based generation of viable leads from small combinatorial libraries.
    Laird ER, Blake JF.
    Curr Opin Drug Discov Devel; 2004 May 01; 7(3):354-9. PubMed ID: 15216940
    [Abstract] [Full Text] [Related]

  • 13. Strategies for designing GPCR-focused libraries and screening sets.
    Jimonet P, Jäger R.
    Curr Opin Drug Discov Devel; 2004 May 01; 7(3):325-33. PubMed ID: 15216936
    [Abstract] [Full Text] [Related]

  • 14. A kinase-focused compound collection: compilation and screening strategy.
    Sun D, Chuaqui C, Deng Z, Bowes S, Chin D, Singh J, Cullen P, Hankins G, Lee WC, Donnelly J, Friedman J, Josiah S.
    Chem Biol Drug Des; 2006 Jun 01; 67(6):385-94. PubMed ID: 16882313
    [Abstract] [Full Text] [Related]

  • 15. Novel technologies for virtual screening.
    Lengauer T, Lemmen C, Rarey M, Zimmermann M.
    Drug Discov Today; 2004 Jan 01; 9(1):27-34. PubMed ID: 14761803
    [Abstract] [Full Text] [Related]

  • 16. Discovery of novel HIV entry inhibitors for the CXCR4 receptor by prospective virtual screening.
    Pérez-Nueno VI, Pettersson S, Ritchie DW, Borrell JI, Teixidó J.
    J Chem Inf Model; 2009 Apr 01; 49(4):810-23. PubMed ID: 19358515
    [Abstract] [Full Text] [Related]

  • 17. Strategy for discovering chemical inhibitors of human cyclophilin a: focused library design, virtual screening, chemical synthesis and bioassay.
    Li J, Zhang J, Chen J, Luo X, Zhu W, Shen J, Liu H, Shen X, Jiang H.
    J Comb Chem; 2006 Apr 01; 8(3):326-37. PubMed ID: 16677001
    [Abstract] [Full Text] [Related]

  • 18. Novel 2D fingerprints for ligand-based virtual screening.
    Ewing T, Baber JC, Feher M.
    J Chem Inf Model; 2006 Apr 01; 46(6):2423-31. PubMed ID: 17125184
    [Abstract] [Full Text] [Related]

  • 19. Synthesis and SAR studies of trisubstituted purinones as potent and selective adenosine A2A receptor antagonists.
    Shao Y, Cole AG, Brescia MR, Qin LY, Duo J, Stauffer TM, Rokosz LL, McGuinness BF, Henderson I.
    Bioorg Med Chem Lett; 2009 Mar 01; 19(5):1399-402. PubMed ID: 19181527
    [Abstract] [Full Text] [Related]

  • 20. A similarity-based data-fusion approach to the visual characterization and comparison of compound databases.
    Medina-Franco JL, Maggiora GM, Giulianotti MA, Pinilla C, Houghten RA.
    Chem Biol Drug Des; 2007 Nov 01; 70(5):393-412. PubMed ID: 17927720
    [Abstract] [Full Text] [Related]

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