A study from the research group of one of our consortium members, Professor Adrian J. Mulholland, contributed significantly to the understanding of the SARS-COV-2 virus spike protein. Using HECBioSim resources, they characterised a potential interaction of the SARS-CoV-2 spike protein with human nicotinic acetylcholine receptors (Biophys. J. 2021) and identified a fatty acid binding pocket in the SARS-CoV-2 spike protein, a site that is potentially druggable (Science 2020, Angewandte 2021). MD simulations show that the spike binds linoleic acid, stabilising a ‘locked’ conformation, reducing viral infectivity. They then used simulations to identify allosteric effects of linoleate on functional regions of the spike, e.g. the furin cleavage site (CSBJ 2022), which differ between variants (bioRxiv 2022). They also simulated and analysed emerging spike variants (Nature Comms. 2022). Find out more by engaging with the interactive presentation below!
This interactive presentation showcases research done on the SARS-CoV2 spike protein. We recommend it be viewed in full screen mode for the best experience!