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Journal Abstract Search

697 related items for PubMed ID: 19358515

  • 1. 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; 49(4):810-23. PubMed ID: 19358515
    [Abstract] [Full Text] [Related]

  • 2. Comparison of ligand-based and receptor-based virtual screening of HIV entry inhibitors for the CXCR4 and CCR5 receptors using 3D ligand shape matching and ligand-receptor docking.
    Pérez-Nueno VI, Ritchie DW, Rabal O, Pascual R, Borrell JI, Teixidó J.
    J Chem Inf Model; 2008 Mar; 48(3):509-33. PubMed ID: 18298095
    [Abstract] [Full Text] [Related]

  • 3. Clustering and classifying diverse HIV entry inhibitors using a novel consensus shape-based virtual screening approach: further evidence for multiple binding sites within the CCR5 extracellular pocket.
    Pérez-Nueno VI, Ritchie DW, Borrell JI, Teixidó J.
    J Chem Inf Model; 2008 Nov; 48(11):2146-65. PubMed ID: 18942828
    [Abstract] [Full Text] [Related]

  • 4. Highly specific and sensitive pharmacophore model for identifying CXCR4 antagonists. Comparison with docking and shape-matching virtual screening performance.
    Karaboga AS, Planesas JM, Petronin F, Teixidó J, Souchet M, Pérez-Nueno VI.
    J Chem Inf Model; 2013 May 24; 53(5):1043-56. PubMed ID: 23577723
    [Abstract] [Full Text] [Related]

  • 5. 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]

  • 6. 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]

  • 7. Biological profiling of anti-HIV agents and insight into CCR5 antagonist binding using in silico techniques.
    Carrieri A, Pérez-Nueno VI, Fano A, Pistone C, Ritchie DW, Teixidó J.
    ChemMedChem; 2009 Jul 23; 4(7):1153-63. PubMed ID: 19544518
    [Abstract] [Full Text] [Related]

  • 8. Novel 2D fingerprints for ligand-based virtual screening.
    Ewing T, Baber JC, Feher M.
    J Chem Inf Model; 2006 Jul 23; 46(6):2423-31. PubMed ID: 17125184
    [Abstract] [Full Text] [Related]

  • 9. 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 23; 48(5):997-1013. PubMed ID: 18470978
    [Abstract] [Full Text] [Related]

  • 10. 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 May 23; 45(1):146-59. PubMed ID: 15667140
    [Abstract] [Full Text] [Related]

  • 11. Impact of the CXCR4 structure on docking-based virtual screening of HIV entry inhibitors.
    Planesas JM, Pérez-Nueno VI, Borrell JI, Teixidó J.
    J Mol Graph Model; 2012 Sep 23; 38():123-36. PubMed ID: 23079643
    [Abstract] [Full Text] [Related]

  • 12. Comparison of structure- and ligand-based virtual screening protocols considering hit list complementarity and enrichment factors.
    Krüger DM, Evers A.
    ChemMedChem; 2010 Jan 23; 5(1):148-58. PubMed ID: 19908272
    [Abstract] [Full Text] [Related]

  • 13. 3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors.
    Sakkiah S, Thangapandian S, John S, Kwon YJ, Lee KW.
    Eur J Med Chem; 2010 Jun 23; 45(6):2132-40. PubMed ID: 20206418
    [Abstract] [Full Text] [Related]

  • 14. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols.
    Evers A, Hessler G, Matter H, Klabunde T.
    J Med Chem; 2005 Aug 25; 48(17):5448-65. PubMed ID: 16107144
    [Abstract] [Full Text] [Related]

  • 15. Identification of a D-amino acid decapeptide HIV-1 entry inhibitor.
    Boggiano C, Jiang S, Lu H, Zhao Q, Liu S, Binley J, Blondelle SE.
    Biochem Biophys Res Commun; 2006 Sep 08; 347(4):909-15. PubMed ID: 16854380
    [Abstract] [Full Text] [Related]

  • 16. CD4 mimics targeting the HIV entry mechanism and their hybrid molecules with a CXCR4 antagonist.
    Narumi T, Ochiai C, Yoshimura K, Harada S, Tanaka T, Nomura W, Arai H, Ozaki T, Ohashi N, Matsushita S, Tamamura H.
    Bioorg Med Chem Lett; 2010 Oct 01; 20(19):5853-8. PubMed ID: 20728351
    [Abstract] [Full Text] [Related]

  • 17. Combinatorial design of nonsymmetrical cyclic urea inhibitors of aspartic protease of HIV-1.
    Frecer V, Burello E, Miertus S.
    Bioorg Med Chem; 2005 Sep 15; 13(18):5492-501. PubMed ID: 16054372
    [Abstract] [Full Text] [Related]

  • 18. Critical comparison of virtual screening methods against the MUV data set.
    Tiikkainen P, Markt P, Wolber G, Kirchmair J, Distinto S, Poso A, Kallioniemi O.
    J Chem Inf Model; 2009 Oct 15; 49(10):2168-78. PubMed ID: 19799417
    [Abstract] [Full Text] [Related]

  • 19. Scoring ligand similarity in structure-based virtual screening.
    Zavodszky MI, Rohatgi A, Van Voorst JR, Yan H, Kuhn LA.
    J Mol Recognit; 2009 Oct 15; 22(4):280-92. PubMed ID: 19235177
    [Abstract] [Full Text] [Related]

  • 20. Targeting HIV-1 through molecular modeling and docking studies of CXCR4: leads for therapeutic development.
    Singh S, Malik BK, Sharma DK.
    Chem Biol Drug Des; 2007 Mar 15; 69(3):191-203. PubMed ID: 17441905
    [Abstract] [Full Text] [Related]

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