Multimodal Structural Characterization of SARS-CoV-2 Spike Variants: Spectroscopic and Computational Insights.

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-dimens

SUBMITTER: Mancini T 

PROVIDER: S-EPMC12609920 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature