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JOURNALS // Matematicheskaya Biologiya i Bioinformatika // Archive

Mat. Biolog. Bioinform., 2013 Volume 8, Issue 1, Pages 258–275 (Mi mbb144)

This article is cited in 1 paper

Bioinformatics

Computer-Aided Design of Novel HIV-1 Entry Inhibitors Based on Glycosphingolipids

A. M. Andrianova, Yu. V. Kornoushenkoa, I. A. Kashynb, A. V. Tuzikovb

a Institute of Bioorganic Chemistry, National Academy of Sciences of Belarus, Minsk, 220141, Republic of Belarus
b United Institute of Informatics Problems, National Academy of Sciences of Belarus, Minsk 220012, Republic of Belarus

Abstract: Twelve water-soluble analogs of glycosphingolipid $\beta$-galactosylceramide, which present potential anti-HIV agents able to specifically and effectively interact with the conserved structural motifs of the HIV-1 V3 loop containing the envelope gp120 residues critical for cell tropism, were designed by computer modeling. The compounds obtained were shown to exhibit the promising basic structures for the development of novel, potent and broad antiviral drugs.

Key words: HIV-1, gp120 protein, V3 loop, glycosphingolipids, molecular modeling, anti-HIV agents.

UDC: 577.322.5:543.25

Received 11.03.2013, Published 17.06.2013



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