Computational Interrogation of The Human Norovirus-Host Cell Interactions Facilitated by A-Type Antigen

Year 2019, Volume: 23 Issue: 6, 1056 - 1065, 01.12.2019

Abdulkadir Kocak , Muslum Yildiz

https://doi.org/10.16984/saufenbilder.525430

Abstract

Norovirus infectivity, which causes norovirus-induced gastroenteritis,
depends on the interaction between capsid protein VP1 of the virus and host
cell HGBA receptors that tailor the cell membrane surface. The interaction
results in VP1-HGBA complex formation prior to infection. The details of this
interaction have been provided by x-ray structures of HGBA-VP1 complexes, but
the dynamic nature of this interaction is not fully uncovered. Therefore, the
dynamics that drive the formation of VP1-HGBA complex, which is crucial for
developing new therapeutic approaches to find a cure for gastroenteritis
disease, need to be elucidated. Here, we computationally analyzed the wild type
VP1 capsid protein in complex with A-type HGBA antigen to unravel interactions
that are important for virus to enter inside the host cell during infection. We
have found that the ligand binding causes a fluctuation in a distant loop which
resides in the interface of capsid building blocks, VP proteins. This
fluctuation leads an instability in capsid particle that may be an indication
for virus uncoating mechanism during the cell penetration.

Keywords

Norovirus, therapeutic antibody, HBGA blockage, molecular dynamics

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