Design of a folding inhibitor of the HIV-1 protease

被引：2

作者：

Tiana, G

Broglia, RA

Sutto, L

Provasi, D

机构：

[1] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy

[2] Ist Nazl Fis Nucl, I-20133 Milan, Italy

[3] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark

来源：

MOLECULAR SIMULATION | 2005年 / 31卷 / 11期

关键词：

HIV-1; protease; Monte Carlo simulations; local elementary structures; HIV-PR monomer;

D O I：

10.1080/089270500262721

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A novel way to inhibit HIV-1 protease by destabilizing its native state is discussed. A simplified protein model is used together with Monte Carlo simulations, to assess the destabilizing effect of peptides displaying the same sequence as specific fragments of the protein which are essential for its stability. Model calculations also show that it is unlikely that the protein can escape the inhibitory peptide by point mutations.

引用

页码：765 / 771

页数：7

共 50 条

[31] Tipranavir: a protease inhibitor for multi-drug resistant HIV-1
Best, B
Haubrich, R
EXPERT OPINION ON INVESTIGATIONAL DRUGS, 2006, 15 (01) : 59 - 70
[32] The effect of inhibitor binding on the structural stability and cooperativity of the HIV-1 protease
Todd, MJ
Freire, E
PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1999, 36 (02): : 147 - 156
[33] Flap opening mechanism of HIV-1 protease
Toth, G
Borics, A
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2006, 24 (06): : 465 - 474
[34] Effects of Plant Extracts on HIV-1 Protease
Ribeiro Filho, Jaime
Falcao, Heloina de Sousa
Batista, Leonia Maria
Barbosa Filho, Jose Maria
Piuvezam, Marcia Regina
CURRENT HIV RESEARCH, 2010, 8 (07) : 531 - 544
[35] The Evolution of Catalytic Function in the HIV-1 Protease
Singh, Manoj Kumar
Streu, Kristina
McCrone, Andrew J.
Dominy, Brian N.
JOURNAL OF MOLECULAR BIOLOGY, 2011, 408 (04) : 792 - 805
[36] MOLECULAR-DYNAMICS OF HIV-1 PROTEASE
HARTE, WE
SWAMINATHAN, S
BEVERIDGE, DL
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 1992, 13 (03) : 175 - 194
[37] Lipopeptides as dimerization inhibitors of HIV-1 protease
Schramm, HJ
de Rosny, E
Reboud-Ravaux, M
Büttner, J
Dick, A
Schramm, W
BIOLOGICAL CHEMISTRY, 1999, 380 (05) : 593 - 596
[38] Current development on HIV-1 protease inhibitors
Aruksakunwong, Ornjira
Promsri, Siriporn
Wittayanarakul, Kitiyaporn
Nimmanpipug, Piyarat
Lee, Vannajan S.
Wijitkosoom, Atchara
Sompornpisut, Pornthep
Hannongbua, Supot
CURRENT COMPUTER-AIDED DRUG DESIGN, 2007, 3 (03) : 201 - 213
[39] Cysteine nitrosylation inactivates the HIV-1 protease
Persichini, T
Colasanti, M
Lauro, GM
Ascenzi, P
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 1998, 250 (03) : 575 - 576
[40] Chemometric classification of HIV-1 protease inhibitors
Figueiredo, LJO
Antunes, OAC
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2000, 76 (06) : 744 - 755

← 1 2 3 4 5 →