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

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