463 related articles for article (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
[TBL] [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; 55(3):594-602. PubMed ID: 15103623
[TBL] [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; 13(4):1108-23. PubMed ID: 15044738
[TBL] [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; 82(3):272-84. PubMed ID: 16508951
[TBL] [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; 390(2):169-75. PubMed ID: 11396919
[TBL] [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; 50(6):1177-88. PubMed ID: 17300185
[TBL] [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; 37(43):15042-9. PubMed ID: 9790666
[TBL] [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; 8(5-6):427-47. PubMed ID: 19374129
[TBL] [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; 16(23):9957-74. PubMed ID: 18996019
[TBL] [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; 49(7):1751-61. PubMed ID: 19537723
[TBL] [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; 42(3):631-8. PubMed ID: 12534275
[TBL] [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; 242(3):545-51. PubMed ID: 9464253
[TBL] [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; 16(3):1299-308. PubMed ID: 17981045
[TBL] [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; 52(23):7604-17. PubMed ID: 19954246
[TBL] [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; 67(2):155-61. PubMed ID: 16492163
[TBL] [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; 45(1):227-35. PubMed ID: 19910081
[TBL] [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; 37(24):8735-42. PubMed ID: 9628735
[TBL] [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; 10(1):157-66. PubMed ID: 15751773
[TBL] [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; 42(46):13659-66. PubMed ID: 14622012
[TBL] [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; 36(4):462-70. PubMed ID: 10450088
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
