Multimodal Structural Characterization of SARS-CoV-2 Spike Variants: Spectroscopic and Computational Insights
Tiziana Mancini, Nicole Luchetti, Salvatore Macis, Velia Minicozzi, Rosanna Mosetti, Alessandro Nucara, Stefano Lupi, Annalisa D’Arco
TL;DR
This paper uses a combination of experimental and computational methods to study structural changes in the spike protein of three SARS-CoV-2 variants, revealing how mutations affect viral infectivity and immune evasion.
Contribution
The first systematic and comparative structural analysis of monomeric spike protein subunit 1 from three SARS-CoV-2 variants using multimodal techniques.
Findings
Conformational changes in spike protein subunit 1 are influenced by specific amino acid mutations.
Variations in solvent interactions suggest implications for viral infectivity and immune evasion.
Multimodal analysis reveals structural and functional differences among SARS-CoV-2 variants.
Abstract
The SARS-CoV-2 pandemic has driven the emergence of many viral variants carrying multiple mutations, particularly in the spike glycoprotein, which enhance viral adaptability and may alter the structure and functionality of the protein. Here, we present, to the best of our knowledge, the first systematic and comparative structural analysis of monomeric spike protein subunit 1 from three distinct SARS-CoV-2 variants at physiological pH (7.4). A multimodal approach was employed, integrating experimental techniques, including Attenuated Total Reflection Infrared and circular dichroism spectroscopies, with computational methods such as molecular dynamics simulations and surface polarity analyses. This combined approach allowed us to characterize the secondary structure composition, three-dimensional conformational organization, and solvent interaction profiles of each variant. Our findings…
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Taxonomy
TopicsSARS-CoV-2 and COVID-19 Research · COVID-19 epidemiological studies · Bacteriophages and microbial interactions