319 related articles for article (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
[TBL] [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; 374(4):1005-16. PubMed ID: 17977555
[TBL] [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; 8(5-6):427-47. PubMed ID: 19374129
[TBL] [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; 48(1):63-74. PubMed ID: 12012338
[TBL] [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; 16(23):9957-74. PubMed ID: 18996019
[TBL] [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; 50(8):1768-77. PubMed ID: 17367119
[TBL] [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; 49(7):1751-61. PubMed ID: 19537723
[TBL] [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; 39(12):2400-10. PubMed ID: 8691434
[TBL] [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; 109(1):565-74. PubMed ID: 16851048
[TBL] [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; 57(2):279-93. PubMed ID: 15340915
[TBL] [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;
J Med Virol; 2007 Nov; 79(11):1617-28. PubMed ID: 17854027
[TBL] [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; 13(18):5492-501. PubMed ID: 16054372
[TBL] [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; 67(5):336-45. PubMed ID: 16784458
[TBL] [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; 47(2):731-43. PubMed ID: 18092815
[TBL] [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; 82(3):272-84. PubMed ID: 16508951
[TBL] [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; 48(9):1909-19. PubMed ID: 18710212
[TBL] [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; 51(4):852-60. PubMed ID: 18215016
[TBL] [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; 9():6055-65. PubMed ID: 26622167
[TBL] [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; 65(2):407-23. PubMed ID: 16941468
[TBL] [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; 45(2):300-8. PubMed ID: 15807491
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
