Computational investigation of glycosaminoglycan cofactors in SARS-CoV-2 infection dynamics

COVID-19, caused by the SARS-CoV-2 virus, continues to cause widespread disruption to all aspects of society. The SARS-CoV-2 virion is studded by trimeric spike proteins that play the predominant role in initiating viral invasion by binding to human angiotensin-converting enzyme 2 (hACE2). However, contact between SARS-CoV-2 and hACE2 is merely half of the invasion story, ignoring the complexity of other necessary infection cofactors on the mammalian cell surface. All cell surfaces are surrounded by a glycocalyx composed of various glycoconjugates, including glycoproteins, glycosphingolipids, and proteoglycans.