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

Koehler, Melanie ; Ray, Ankita ; Moreira, Rodrigo A ; Juniku, Blinera ; Poma, Adolfo B ; Alsteens, David

Nature communications, 2021-11, Vol.12 (1), p.6977-6977, Article 6977 [Periódico revisado por pares]

England: Nature Publishing Group

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Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
Autor: Koehler, Melanie ; Ray, Ankita ; Moreira, Rodrigo A ; Juniku, Blinera ; Poma, Adolfo B ; Alsteens, David
Assuntos: ACE2 ; Angiotensin-converting enzyme 2 ; Angiotensin-Converting Enzyme 2 - chemistry ; Angiotensin-Converting Enzyme 2 - metabolism ; Antibodies ; Antibodies, Neutralizing - immunology ; Antibodies, Neutralizing - pharmacology ; Atomic force microscopy ; Binding ; Complex formation ; COVID-19 - therapy ; COVID-19 - virology ; Humans ; Kinetics ; Microscopy, Atomic Force ; Molecular dynamics ; Molecular Dynamics Simulation ; Mutation ; Neutralization ; Protein Binding - drug effects ; Protein Interaction Domains and Motifs ; Protein Stability ; Receptors ; SARS-CoV-2 - genetics ; SARS-CoV-2 - immunology ; SARS-CoV-2 - metabolism ; Severe acute respiratory syndrome ; Severe acute respiratory syndrome coronavirus 2 ; Spectroscopy ; Spike Glycoprotein, Coronavirus - genetics ; Spike Glycoprotein, Coronavirus - immunology ; Spike Glycoprotein, Coronavirus - metabolism ; Stability ; Thermodynamics ; Viral diseases ; Virulence
É parte de: Nature communications, 2021-11, Vol.12 (1), p.6977-6977, Article 6977
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Descrição: 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.
Editor: England: Nature Publishing Group
Idioma: Inglês

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

Koehler, Melanie ; Ray, Ankita ; Moreira, Rodrigo A ; Juniku, Blinera ; Poma, Adolfo B ; Alsteens, David

England: Nature Publishing Group

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