Computer-Aided Design of Novel HIV-1 Entry Inhibitors Based on Glycosphingolipids
Andrianov A.M., Kornoushenko Yu.V., Kashyn I.A., Tuzikov A.V.
Institute of Bioorganic Chemistry, National Academy of Sciences of Belarus, Minsk, 220141, Republic of Belarus
United Institute of Informatics Problems, National Academy of Sciences of Belarus, Minsk 220012, Republic of Belarus
Abstract. Twelve water-soluble analogs of glycosphingolipid β-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.