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

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.