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Issue 4, 2007
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Three-dimensional structure of HIV-1 VIF constructed by comparative modeling and the function characterization analyzed by molecular dynamics simulation

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Abstract

VIF is one of the six accessory proteins of HIV-1. It has been shown to be necessary for the survival of HIV-1 in the human body and for the retention of viral infectivity. It is strongly expected that a new therapeutic strategy against HIV-1 infection could be realized by blocking the biological pathway to VIF. In this paper, a three-dimensional model of VIF was constructed by comparative modeling based on two templates, VHL and NarL, which were used to construct the C-terminal domain and N-terminal domain of VIF, respectively. A model of the VIF–ElonginB–ElonginC complex was constructed, and molecular dynamics simulations were used to investigate the interactions between VIF and ElonginB–ElonginC. Mutagenesis was used to identify the function of some conserved residues in the putative SOCS-box. The results showed that the mutations of the critical residues led to the disruption of the interactions between VIF and ElonginB–ElonginC, consistent with experimental observations. These novel models of VIF and its complex has therefore provided structural information for investigating the function of VIF at the molecular level.

Graphical abstract: Three-dimensional structure of HIV-1 VIF constructed by comparative modeling and the function characterization analyzed by molecular dynamics simulation

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Publication details

The article was received on 21 Aug 2006, accepted on 18 Dec 2006 and first published on 18 Jan 2007


Article type: Paper
DOI: 10.1039/B612050D
Citation: Org. Biomol. Chem., 2007,5, 617-626
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    Three-dimensional structure of HIV-1 VIF constructed by comparative modeling and the function characterization analyzed by molecular dynamics simulation

    W. Lv, Z. Liu, H. Jin, X. Yu, L. Zhang and L. Zhang, Org. Biomol. Chem., 2007, 5, 617
    DOI: 10.1039/B612050D

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