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211 related items for PubMed ID: 9301672

  • 1. Molecular modeling and 3D-QSAR studies on the interaction mechanism of tripeptidyl thrombin inhibitors with human alpha-thrombin.
    Jiang H, Chen K, Tang Y, Chen J, Li Q, Wang Q, Ji R.
    J Med Chem; 1997 Sep 12; 40(19):3085-90. PubMed ID: 9301672
    [Abstract] [Full Text] [Related]

  • 2. Binding interaction analysis of the active site and its inhibitors for neuraminidase (N1 subtype) of human influenza virus by the integration of molecular docking, FMO calculation and 3D-QSAR CoMFA modeling.
    Zhang Q, Yang J, Liang K, Feng L, Li S, Wan J, Xu X, Yang G, Liu D, Yang S.
    J Chem Inf Model; 2008 Sep 12; 48(9):1802-12. PubMed ID: 18707092
    [Abstract] [Full Text] [Related]

  • 3. Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study.
    Nardini M, Pesce A, Rizzi M, Casale E, Ferraccioli R, Balliano G, Milla P, Ascenzi P, Bolognesi M.
    J Mol Biol; 1996 May 24; 258(5):851-9. PubMed ID: 8637015
    [Abstract] [Full Text] [Related]

  • 4. In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design.
    Costanzo MJ, Almond HR, Hecker LR, Schott MR, Yabut SC, Zhang HC, Andrade-Gordon P, Corcoran TW, Giardino EC, Kauffman JA, Lewis JM, de Garavilla L, Haertlein BJ, Maryanoff BE.
    J Med Chem; 2005 Mar 24; 48(6):1984-2008. PubMed ID: 15771442
    [Abstract] [Full Text] [Related]

  • 5. Generation of ligand conformations in continuum solvent consistent with protein active site topology: application to thrombin.
    Greenidge PA, Mérette SA, Beck R, Dodson G, Goodwin CA, Scully MF, Spencer J, Weiser J, Deadman JJ.
    J Med Chem; 2003 Apr 10; 46(8):1293-305. PubMed ID: 12672230
    [Abstract] [Full Text] [Related]

  • 6. Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.
    Xu Y, Liu H, Niu C, Luo C, Luo X, Shen J, Chen K, Jiang H.
    Bioorg Med Chem; 2004 Dec 01; 12(23):6193-208. PubMed ID: 15519163
    [Abstract] [Full Text] [Related]

  • 7. Inhibitory mode of indole-2-carboxamide derivatives against HLGPa: molecular docking and 3D-QSAR analyses.
    Liu G, Zhang Z, Luo X, Shen J, Liu H, Shen X, Chen K, Jiang H.
    Bioorg Med Chem; 2004 Aug 01; 12(15):4147-57. PubMed ID: 15246091
    [Abstract] [Full Text] [Related]

  • 8. Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
    De Simone G, Balliano G, Milla P, Gallina C, Giordano C, Tarricone C, Rizzi M, Bolognesi M, Ascenzi P.
    J Mol Biol; 1997 Jun 20; 269(4):558-69. PubMed ID: 9217260
    [Abstract] [Full Text] [Related]

  • 9. Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies.
    Hou T, Zhu L, Chen L, Xu X.
    J Chem Inf Comput Sci; 2003 Jun 20; 43(1):273-87. PubMed ID: 12546563
    [Abstract] [Full Text] [Related]

  • 10. Synthesis, structure, and structure-activity relationships of divalent thrombin inhibitors containing an alpha-keto-amide transition-state mimetic.
    Krishnan R, Tulinsky A, Vlasuk GP, Pearson D, Vallar P, Bergum P, Brunck TK, Ripka WC.
    Protein Sci; 1996 Mar 20; 5(3):422-33. PubMed ID: 8868478
    [Abstract] [Full Text] [Related]

  • 11. Molecular modeling studies of novel retro-binding tripeptide active-site inhibitors of thrombin.
    Lau WF, Tabernero L, Sack JS, Iwanowicz EJ.
    Bioorg Med Chem; 1995 Aug 20; 3(8):1039-48. PubMed ID: 7582978
    [Abstract] [Full Text] [Related]

  • 12. Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex.
    De Simone G, Lombardi A, Galdiero S, Nastri F, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V.
    Protein Sci; 1998 Feb 20; 7(2):243-53. PubMed ID: 9521099
    [Abstract] [Full Text] [Related]

  • 13. 3D-QSAR and docking studies of aldehyde inhibitors of human cathepsin K.
    Pan X, Tan N, Zeng G, Han H, Huang H.
    Bioorg Med Chem; 2006 Apr 15; 14(8):2771-8. PubMed ID: 16377193
    [Abstract] [Full Text] [Related]

  • 14. From natural to synthetic multisite thrombin inhibitors.
    Lombardi A, De Simone G, Galdiero S, Staiano N, Nastri F, Pavone V.
    Biopolymers; 1999 Apr 15; 51(1):19-39. PubMed ID: 10380350
    [Abstract] [Full Text] [Related]

  • 15. Comparative binding energy analysis considering multiple receptors: a step toward 3D-QSAR models for multiple targets.
    Murcia M, Morreale A, Ortiz AR.
    J Med Chem; 2006 Oct 19; 49(21):6241-53. PubMed ID: 17034130
    [Abstract] [Full Text] [Related]

  • 16. Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.
    Baum B, Muley L, Heine A, Smolinski M, Hangauer D, Klebe G.
    J Mol Biol; 2009 Aug 21; 391(3):552-64. PubMed ID: 19520086
    [Abstract] [Full Text] [Related]

  • 17. Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles.
    Isaacs RC, Solinsky MG, Cutrona KJ, Newton CL, Naylor-Olsen AM, McMasters DR, Krueger JA, Lewis SD, Lucas BJ, Kuo LC, Yan Y, Lynch JJ, Lyle EA.
    Bioorg Med Chem Lett; 2008 Mar 15; 18(6):2062-6. PubMed ID: 18291642
    [Abstract] [Full Text] [Related]

  • 18. Synthesis and SAR of thrombin inhibitors incorporating a novel 4-amino-morpholinone sscaffold: analysis of X-ray crystal structure of enzyme inhibitor complex.
    Nilsson JW, Kvarnström I, Musil D, Nilsson I, Samulesson B.
    J Med Chem; 2003 Sep 11; 46(19):3985-4001. PubMed ID: 12954052
    [Abstract] [Full Text] [Related]

  • 19. Virtual screening and scaffold hopping based on GRID molecular interaction fields.
    Ahlström MM, Ridderström M, Luthman K, Zamora I.
    J Chem Inf Model; 2005 Sep 11; 45(5):1313-23. PubMed ID: 16180908
    [Abstract] [Full Text] [Related]

  • 20. Crystallographic structure of a peptidyl keto acid inhibitor and human alpha-thrombin.
    Håkansson K, Tulinsky A, Abelman MM, Miller TA, Vlasuk GP, Bergum PW, Lim-Wilby MS, Brunck TK.
    Bioorg Med Chem; 1995 Aug 11; 3(8):1009-17. PubMed ID: 7582975
    [Abstract] [Full Text] [Related]

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