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.

Design of a folding inhibitor of the HIV-1 protease / G. Tiana, R.A. Broglia, L. Sutto, D. Provasi. - In: MOLECULAR SIMULATION. - ISSN 0892-7022. - 31:11(2005), pp. 765-771. [10.1080/089270500262721]

Design of a folding inhibitor of the HIV-1 protease

G. Tiana;R. A. Broglia;L. Sutto and D. Provasi;D. Provasi
2005

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.
HIV-1 protease; HTV-PR monomer; Local elementary structures; Monte Carlo simulations
Settore FIS/04 - Fisica Nucleare e Subnucleare
Settore FIS/03 - Fisica della Materia
MOLECULAR SIMULATION
Article (author)
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/11242
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