Glycopeptides by quantum chemistry and artificial intelligence

Abstract

Glycation destroys or impairs the biological function of peptides and proteins. The bacteria cell wall polymers consist of GlcNAc, which is crosslinked with oligopeptides. While glutamine is a nonessential amino acid that can be derived from glucose, some cancer cells primarily depend on glutamine for their growth, proliferation, and survival. Numerous types of cancer also depend on asparagine for cell proliferation. Thus, glucose and asparagine interactions are at the center of cancer. Moreover, Semliki Forest virus grown in mosquito cells consist of asparagine-linked oligosaccharides. Dengue virus envelope protein (E) consists of two N-linked glyscosylation sites asparagine-67 and asparagine-153. N-linked oligosaccharide side chains on flavivirus E proteins have been associated with viral morphogenesis, infectivity, and tropism. Virologically, ZIKV consists of a single-stranded, positive-sense RNA while the genome encodes three structural proteins including an E protein. Both cryo-electron microscopy and crystallization measurements supported the role of asparagine as a glycosylation site for host cell attachment.