Exploring dynamics and network analysis of spike glycoprotein of SARS-COV-2.

ABSTRACT: The ongoing pandemic caused by severe acute respiratory syndrome coronavirus 2 continues to rage with devastating consequences on human health and global economy. The spike glycoprotein on the surface of coronavirus mediates its entry into host cells and is the target of all current antibody design efforts to neutralize the virus. The glycan shield of the spike helps the virus to evade the human immune response by providing a thick sugar-coated barrier against any antibody. To study the dynamic motion of glycans in the spike protein, we performed microsecond-long molecular dynamics simulation in two different states that correspond to the receptor binding domain in open or closed conformations. Analysis of this microsecond-long simulation revealed a scissoring motion on the N-terminal doma

SUBMITTER: Ghorbani M 

PROVIDER: S-EPMC7939993 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature