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Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants

Author

Listed:
  • Melanie Koehler

    (Université catholique de Louvain)

  • Ankita Ray

    (Université catholique de Louvain)

  • Rodrigo A. Moreira

    (Polish Academy of Sciences)

  • Blinera Juniku

    (Université catholique de Louvain)

  • Adolfo B. Poma

    (Lodz University of Technology)

  • David Alsteens

    (Université catholique de Louvain
    Walloon Excellence in Life sciences and Biotechnology (WELBIO))

Abstract

Despite an unprecedented global gain in knowledge since the emergence of SARS-CoV-2, almost all mechanistic knowledge related to the molecular and cellular details of viral replication, pathology and virulence has been generated using early prototypic isolates of SARS-CoV-2. Here, using atomic force microscopy and molecular dynamics, we investigated how these mutations quantitatively affected the kinetic, thermodynamic and structural properties of RBD—ACE2 complex formation. We observed for several variants of concern a significant increase in the RBD—ACE2 complex stability. While the N501Y and E484Q mutations are particularly important for the greater stability, the N501Y mutation is unlikely to significantly affect antibody neutralization. This work provides unprecedented atomistic detail on the binding of SARS-CoV-2 variants and provides insight into the impact of viral mutations on infection-induced immunity.

Suggested Citation

  • Melanie Koehler & Ankita Ray & Rodrigo A. Moreira & Blinera Juniku & Adolfo B. Poma & David Alsteens, 2021. "Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants," Nature Communications, Nature, vol. 12(1), pages 1-13, December.
    • Handle: RePEc:nat:natcom:v:12:y:2021:i:1:d:10.1038_s41467-021-27325-1
    DOI: 10.1038/s41467-021-27325-1
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    References listed on IDEAS

    as
    1. Jun Lan & Jiwan Ge & Jinfang Yu & Sisi Shan & Huan Zhou & Shilong Fan & Qi Zhang & Xuanling Shi & Qisheng Wang & Linqi Zhang & Xinquan Wang, 2020. "Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor," Nature, Nature, vol. 581(7807), pages 215-220, May.
    2. Jinsung Yang & Simon J. L. Petitjean & Melanie Koehler & Qingrong Zhang & Andra C. Dumitru & Wenzhang Chen & Sylvie Derclaye & Stéphane P. Vincent & Patrice Soumillion & David Alsteens, 2020. "Molecular interaction and inhibition of SARS-CoV-2 binding to the ACE2 receptor," Nature Communications, Nature, vol. 11(1), pages 1-10, December.
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    1. Rong Zhu & Daniel Canena & Mateusz Sikora & Miriam Klausberger & Hannah Seferovic & Ahmad Reza Mehdipour & Lisa Hain & Elisabeth Laurent & Vanessa Monteil & Gerald Wirnsberger & Ralph Wieneke & Robert, 2022. "Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level," Nature Communications, Nature, vol. 13(1), pages 1-17, December.

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