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460 related items for PubMed ID: 16784458

  • 1. 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; 67(5):336-45. PubMed ID: 16784458
    [Abstract] [Full Text] [Related]

  • 2. A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
    Vega S, Kang LW, Velazquez-Campoy A, Kiso Y, Amzel LM, Freire E.
    Proteins; 2004 May 15; 55(3):594-602. PubMed ID: 15103623
    [Abstract] [Full Text] [Related]

  • 3. HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs.
    Perryman AL, Lin JH, McCammon JA.
    Protein Sci; 2004 Apr 15; 13(4):1108-23. PubMed ID: 15044738
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. The binding energetics of first- and second-generation HIV-1 protease inhibitors: implications for drug design.
    Velazquez-Campoy A, Kiso Y, Freire E.
    Arch Biochem Biophys; 2001 Jun 15; 390(2):169-75. PubMed ID: 11396919
    [Abstract] [Full Text] [Related]

  • 6. Molecular dynamics and free energy studies on the wild-type and double mutant HIV-1 protease complexed with amprenavir and two amprenavir-related inhibitors: mechanism for binding and drug resistance.
    Hou T, Yu R.
    J Med Chem; 2007 Mar 22; 50(6):1177-88. PubMed ID: 17300185
    [Abstract] [Full Text] [Related]

  • 7. Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
    Ala PJ, Huston EE, Klabe RM, Jadhav PK, Lam PY, Chang CH.
    Biochemistry; 1998 Oct 27; 37(43):15042-9. PubMed ID: 9790666
    [Abstract] [Full Text] [Related]

  • 8. Comparative studies on inhibitors of HIV protease: a target for drug design.
    Jayaraman S, Shah K.
    In Silico Biol; 2008 Oct 27; 8(5-6):427-47. PubMed ID: 19374129
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. 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 01; 49(7):1751-61. PubMed ID: 19537723
    [Abstract] [Full Text] [Related]

  • 11. A major role for a set of non-active site mutations in the development of HIV-1 protease drug resistance.
    Muzammil S, Ross P, Freire E.
    Biochemistry; 2003 Jan 28; 42(3):631-8. PubMed ID: 12534275
    [Abstract] [Full Text] [Related]

  • 12. A computational study of the resistance of HIV-1 aspartic protease to the inhibitors ABT-538 and VX-478 and design of new analogues.
    Nair AC, Miertus S, Tossi A, Romeo D.
    Biochem Biophys Res Commun; 1998 Jan 26; 242(3):545-51. PubMed ID: 9464253
    [Abstract] [Full Text] [Related]

  • 13. Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
    Mimoto T, Nojima S, Terashima K, Takaku H, Shintani M, Hayashi H.
    Bioorg Med Chem; 2008 Feb 01; 16(3):1299-308. PubMed ID: 17981045
    [Abstract] [Full Text] [Related]

  • 14. Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
    Hidaka K, Kimura T, Abdel-Rahman HM, Nguyen JT, McDaniel KF, Kohlbrenner WE, Molla A, Adachi M, Tamada T, Kuroki R, Katsuki N, Tanaka Y, Matsumoto H, Wang J, Hayashi Y, Kempf DJ, Kiso Y.
    J Med Chem; 2009 Dec 10; 52(23):7604-17. PubMed ID: 19954246
    [Abstract] [Full Text] [Related]

  • 15. Drug resistance of HIV-1 protease against JE-2147: I47V mutation investigated by molecular dynamics simulation.
    Bandyopadhyay P, Meher BR.
    Chem Biol Drug Des; 2006 Feb 10; 67(2):155-61. PubMed ID: 16492163
    [Abstract] [Full Text] [Related]

  • 16. Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from molecular dynamic simulations.
    Hu GD, Zhu T, Zhang SL, Wang D, Zhang QG.
    Eur J Med Chem; 2010 Jan 10; 45(1):227-35. PubMed ID: 19910081
    [Abstract] [Full Text] [Related]

  • 17. Resistance to HIV protease inhibitors: a comparison of enzyme inhibition and antiviral potency.
    Klabe RM, Bacheler LT, Ala PJ, Erickson-Viitanen S, Meek JL.
    Biochemistry; 1998 Jun 16; 37(24):8735-42. PubMed ID: 9628735
    [Abstract] [Full Text] [Related]

  • 18. Prediction of HIV-1 protease inhibitor resistance using a protein-inhibitor flexible docking approach.
    Jenwitheesuk E, Samudrala R.
    Antivir Ther; 2005 Jun 16; 10(1):157-66. PubMed ID: 15751773
    [Abstract] [Full Text] [Related]

  • 19. Multidrug resistance to HIV-1 protease inhibition requires cooperative coupling between distal mutations.
    Ohtaka H, Schön A, Freire E.
    Biochemistry; 2003 Nov 25; 42(46):13659-66. PubMed ID: 14622012
    [Abstract] [Full Text] [Related]

  • 20. Structure-based ligand design by dynamically assembling molecular building blocks at binding site.
    Liu H, Duan Z, Luo Q, Shi Y.
    Proteins; 1999 Sep 01; 36(4):462-70. PubMed ID: 10450088
    [Abstract] [Full Text] [Related]

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