Glycans Modulate the Adsorption of RBD Glycoproteins on Polarizable Surfaces
Antonio M. Bosch-Fernández, Willy Menacho, Rubén Pérez, Horacio V. Guzman
TL;DR
This study explores how glycans affect how RBD glycoproteins from SARS-CoV-2 stick to different surfaces, revealing new insights into virus-surface interactions.
Contribution
The study reveals novel glycan-mediated adsorption phenomena and their role in modulating RBD conformational dynamics on polarizable surfaces.
Findings
Hydrophobic surfaces support stable adsorption of both open and closed RBD conformations.
Glycans modulate closed-RBD adsorption, either enhancing or impeding it depending on conformation and mutations.
Findings align with scaled-up simulations of the complete spike ectodomain glycoprotein.
Abstract
Numerous respiratory viruses are transmitted via airborne microdroplets that frequently adhere to fomites. Understanding the behavior of these phenomenologically rich bio-material interfaces remains an open issue. Here, we tackle the complex interplay between glycans and protein conformational dynamics during adsorption onto polarizable surfaces, focusing on the potential of glycans as molecular interaction modulators. We employ molecular dynamics simulations to dissect the interactions of the Receptor Binding Domain (RBD) glycoproteins from different SARS-CoV-2 variants of concern (VoC), in both open and closed conformations, with polarizable planar interfaces. Advanced analysis using 2D space reveals distinct adsorption mechanisms depending on the initial loci of the glycan within the protein wall. Hydrophobic surfaces facilitate stable adsorption for both RBD conformations.…
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Taxonomy
TopicsPolymer Surface Interaction Studies · Glycosylation and Glycoproteins Research · Molecular Junctions and Nanostructures