Design of a folding inhibitor of the HIV-1 protease

G. Tiana; R. A. Broglia; L. Sutto; D. Provasi

doi:10.1080/089270500262721

Design of a folding inhibitor of the HIV-1 protease

G. Tiana
, R. A. Broglia
, L. Sutto
, D. Provasi

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	765-771
Number of pages	7
Journal	Molecular Simulation
Volume	31
Issue number	11
DOIs	https://doi.org/10.1080/089270500262721
State	Published - 15 Sep 2005
Externally published	Yes

Keywords

HIV-1 protease
HTV-PR monomer
Local elementary structures
Monte Carlo simulations

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10.1080/089270500262721

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abstract = "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.",

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AU - Tiana, G.

AU - Broglia, R. A.

AU - Sutto, L.

AU - Provasi, D.

PY - 2005/9/15

Y1 - 2005/9/15

N2 - 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.

AB - 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.

KW - HIV-1 protease

KW - HTV-PR monomer

KW - Local elementary structures

KW - Monte Carlo simulations

UR - https://www.scopus.com/pages/publications/25444517628

U2 - 10.1080/089270500262721

DO - 10.1080/089270500262721

M3 - Article

AN - SCOPUS:25444517628

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VL - 31

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EP - 771

JO - Molecular Simulation

JF - Molecular Simulation

IS - 11

ER -

Design of a folding inhibitor of the HIV-1 protease

Abstract

Keywords

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