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Browsing by Author Oliveira, A. Sofia F.

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  • OER000002754.pdf.jpg
  • Journal article

  • SARS-CoV-2 spike variants differ in their allosteric response to linoleic acid

    • Authors : Oliveira, A. Sofia F. (2023)

  • The SARS-CoV-2 spike protein contains a fatty acid binding site, also found in some other coronaviruses (e.g. SARS-CoV), which binds linoleic acid and is functionally important. When occupied by linoleic acid, it reduces infectivity, by ‘locking’ the spike in a less infectious conformation. Here, we use dynamical-nonequilibrium molecular dynamics (D-NEMD) simulations to compare the response of spike variants to linoleic acid removal. These simulations show that&#x...
  • OER000000228.pdf.jpg
  • Journal article

  • Simulations support the interaction of the SARS-CoV-2 spike protein with nicotinic acetylcholine receptors

    • Authors : Oliveira, A. Sofia F.; Ibarra, Amaurys Avila; Bermudez, Isabel (2020)

  • The binding of the Y674-R685 loop of the S protein to three nAChRs, namely the human α4β2 and α7 subtypes and the muscle-like αβγδ receptor from Tetronarce californica. Our results indicate that Y674-R685 has affinity for nAChRs and the region responsible for binding contains the PRRA motif, a four-residue insertion not found in other SARS-like coronaviruses. In particular, R682 has a key role in the stabilisation of the complexes as it&#x...