computer-aided approaches for targeting hivgp41针对hivgp41计算机辅助方法.pdf
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Biology 2012, 1, 311-338; doi:10.3390/biology1020311
OPEN ACCESS
biology
ISSN 2079-7737
/journal/biology
Review
Computer-Aided Approaches for Targeting HIVgp41
William J. Allen 1 and Robert C. Rizzo 1,2,3,*
1 Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook,
NY 11794, USA; E-Mail: william.allen@
2 Institute of Chemical Biology and Drug Discovery, Stony Brook University, Stony Brook,
NY 11794, USA
3 Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook,
NY 11794, USA
* Author to whom correspondence should be addressed; E-Mail: rizzorc@;
Tel.: +1-631-632-3940; Fax: +1-631-632-8490.
Received: 17 July 2012; in revised form: 9 August 2012 / Accepted: 12 August 2012 /
Published: 20 August 2012
Abstract: Virus-cell fusion is the primary means by which the human immunodeficiency
virus-1 (HIV) delivers its genetic material into the human T-cell host. Fusion is mediated in
large part by the viral glycoprotein 41 (gp41) which advances through four distinct
conformational states: (i) native, (ii) pre-hairpin intermediate, (iii) fusion active
(fusogenic), and (iv) post-fusion. The pre-hairpin intermediate is a particularly attractive
step for therapeutic intervention given that gp41 N-terminal heptad repeat (NHR) and
C-terminal heptad repeat (CHR) domains are transiently exposed prior to the formation of a
six-helix bundle required for fusion. Most peptide-based
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