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315 related items for PubMed ID: 17459746

  • 1. Drug design: new inhibitors for HIV-1 protease based on Nelfinavir as lead.
    Perez MA, Fernandes PA, Ramos MJ.
    J Mol Graph Model; 2007 Oct; 26(3):634-42. PubMed ID: 17459746
    [Abstract] [Full Text] [Related]

  • 2. Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants.
    Kozísek M, Bray J, Rezácová P, Sasková K, Brynda J, Pokorná J, Mammano F, Rulísek L, Konvalinka J.
    J Mol Biol; 2007 Dec 07; 374(4):1005-16. PubMed ID: 17977555
    [Abstract] [Full Text] [Related]

  • 3. Comparative studies on inhibitors of HIV protease: a target for drug design.
    Jayaraman S, Shah K.
    In Silico Biol; 2008 Dec 07; 8(5-6):427-47. PubMed ID: 19374129
    [Abstract] [Full Text] [Related]

  • 4. Evolutionary analysis of HIV-1 protease inhibitors: Methods for design of inhibitors that evade resistance.
    Stoffler D, Sanner MF, Morris GM, Olson AJ, Goodsell DS.
    Proteins; 2002 Jul 01; 48(1):63-74. PubMed ID: 12012338
    [Abstract] [Full Text] [Related]

  • 5. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations.
    Durdagi S, Mavromoustakos T, Chronakis N, Papadopoulos MG.
    Bioorg Med Chem; 2008 Dec 01; 16(23):9957-74. PubMed ID: 18996019
    [Abstract] [Full Text] [Related]

  • 6. Mechanism of drug resistance due to N88S in CRF01_AE HIV-1 protease, analyzed by molecular dynamics simulations.
    Ode H, Matsuyama S, Hata M, Hoshino T, Kakizawa J, Sugiura W.
    J Med Chem; 2007 Apr 19; 50(8):1768-77. PubMed ID: 17367119
    [Abstract] [Full Text] [Related]

  • 7. Molecular dynamics and free energy studies on the wild-type and mutated HIV-1 protease complexed with four approved drugs: mechanism of binding and drug resistance.
    Alcaro S, Artese A, Ceccherini-Silberstein F, Ortuso F, Perno CF, Sing T, Svicher V.
    J Chem Inf Model; 2009 Jul 19; 49(7):1751-61. PubMed ID: 19537723
    [Abstract] [Full Text] [Related]

  • 8. Structure-based design of novel HIV protease inhibitors: sulfonamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent non-peptidic inhibitors.
    Thaisrivongs S, Janakiraman MN, Chong KT, Tomich PK, Dolak LA, Turner SR, Strohbach JW, Lynn JC, Horng MM, Hinshaw RR, Watenpaugh KD.
    J Med Chem; 1996 Jun 07; 39(12):2400-10. PubMed ID: 8691434
    [Abstract] [Full Text] [Related]

  • 9. Resistant mechanism against nelfinavir of human immunodeficiency virus type 1 proteases.
    Ode H, Ota M, Neya S, Hata M, Sugiura W, Hoshino T.
    J Phys Chem B; 2005 Jan 13; 109(1):565-74. PubMed ID: 16851048
    [Abstract] [Full Text] [Related]

  • 10. Efficiency of a second-generation HIV-1 protease inhibitor studied by molecular dynamics and absolute binding free energy calculations.
    Lepsík M, Kríz Z, Havlas Z.
    Proteins; 2004 Nov 01; 57(2):279-93. PubMed ID: 15340915
    [Abstract] [Full Text] [Related]

  • 11. Mutational patterns and correlated amino acid substitutions in the HIV-1 protease after virological failure to nelfinavir- and lopinavir/ritonavir-based treatments.
    Garriga C, Pérez-Elías MJ, Delgado R, Ruiz L, Nájera R, Pumarola T, Alonso-Socas Mdel M, García-Bujalance S, Menéndez-Arias L, Spanish Group for the Study of Antiretroviral Drug Resistance.
    J Med Virol; 2007 Nov 01; 79(11):1617-28. PubMed ID: 17854027
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 13. Optimization and computational evaluation of a series of potential active site inhibitors of the V82F/I84V drug-resistant mutant of HIV-1 protease: an application of the relaxed complex method of structure-based drug design.
    Perryman AL, Lin JH, Andrew McCammon J.
    Chem Biol Drug Des; 2006 May 15; 67(5):336-45. PubMed ID: 16784458
    [Abstract] [Full Text] [Related]

  • 14. The contribution of naturally occurring polymorphisms in altering the biochemical and structural characteristics of HIV-1 subtype C protease.
    Coman RM, Robbins AH, Fernandez MA, Gilliland CT, Sochet AA, Goodenow MM, McKenna R, Dunn BM.
    Biochemistry; 2008 Jan 15; 47(2):731-43. PubMed ID: 18092815
    [Abstract] [Full Text] [Related]

  • 15. Restrained molecular dynamics simulations of HIV-1 protease: the first step in validating a new target for drug design.
    Perryman AL, Lin JH, McCammon JA.
    Biopolymers; 2006 Jun 15; 82(3):272-84. PubMed ID: 16508951
    [Abstract] [Full Text] [Related]

  • 16. Automated molecular simulation based binding affinity calculator for ligand-bound HIV-1 proteases.
    Sadiq SK, Wright D, Watson SJ, Zasada SJ, Stoica I, Coveney PV.
    J Chem Inf Model; 2008 Sep 15; 48(9):1909-19. PubMed ID: 18710212
    [Abstract] [Full Text] [Related]

  • 17. Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation.
    Clemente JC, Robbins A, Graña P, Paleo MR, Correa JF, Villaverde MC, Sardina FJ, Govindasamy L, Agbandje-McKenna M, McKenna R, Dunn BM, Sussman F.
    J Med Chem; 2008 Feb 28; 51(4):852-60. PubMed ID: 18215016
    [Abstract] [Full Text] [Related]

  • 18. Could the FDA-approved anti-HIV PR inhibitors be promising anticancer agents? An answer from enhanced docking approach and molecular dynamics analyses.
    Arodola OA, Soliman ME.
    Drug Des Devel Ther; 2015 Feb 28; 9():6055-65. PubMed ID: 26622167
    [Abstract] [Full Text] [Related]

  • 19. How inaccuracies in protein structure models affect estimates of protein-ligand interactions: computational analysis of HIV-I protease inhibitor binding.
    Thorsteinsdottir HB, Schwede T, Zoete V, Meuwly M.
    Proteins; 2006 Nov 01; 65(2):407-23. PubMed ID: 16941468
    [Abstract] [Full Text] [Related]

  • 20. Structure, dynamics and solvation of HIV-1 protease/saquinavir complex in aqueous solution and their contributions to drug resistance: molecular dynamic simulations.
    Wittayanarakul K, Aruksakunwong O, Sompornpisut P, Sanghiran-Lee V, Parasuk V, Pinitglang S, Hannongbua S.
    J Chem Inf Model; 2005 Nov 01; 45(2):300-8. PubMed ID: 15807491
    [Abstract] [Full Text] [Related]

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