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2014 ; 16
(4
): 674-80
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Anti-HIV drug development through computational methods
#MMPMID24760437
Gu WG
; Zhang X
; Yuan JF
AAPS J
2014[Jul]; 16
(4
): 674-80
PMID24760437
show ga
Although highly active antiretroviral therapy (HAART) is effective in controlling
the progression of AIDS, the emergence of drug-resistant strains increases the
difficulty of successful treatment of patients with HIV infection. Increasing
numbers of patients are facing the dilemma that comes with the running out of
drug combinations for HAART. Computational methods play a key role in anti-HIV
drug development. A substantial number of studies have been performed in anti-HIV
drug development using various computational methods, such as virtual screening,
QSAR, molecular docking, and homology modeling, etc. In this review, we summarize
recent advances in the application of computational methods to anti-HIV drug
development for five key targets as follows: reverse transcriptase, protease,
integrase, CCR5, and CXCR4. We hope that this review will stimulate researchers
from multiple disciplines to consider computational methods in the anti-HIV drug
development process.