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

Here, the authors combine single-molecule atomic force spectroscopy measurements and molecular dynamics simulations to investigate the binding of spike proteins from four SARS-CoV-2 variants of concern (VoC) to the human ACE2 receptor. They observe an increase in the RBD-ACE2 complex stability for s...

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Autores principales:	Melanie Koehler, Ankita Ray, Rodrigo A. Moreira, Blinera Juniku, Adolfo B. Poma, David Alsteens
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/8d29b638bc874af1a0b0f812091804bf
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spelling	oai:doaj.org-article:8d29b638bc874af1a0b0f812091804bf2021-12-05T12:22:26ZMolecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants10.1038/s41467-021-27325-12041-1723https://doaj.org/article/8d29b638bc874af1a0b0f812091804bf2021-11-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-27325-1https://doaj.org/toc/2041-1723Here, the authors combine single-molecule atomic force spectroscopy measurements and molecular dynamics simulations to investigate the binding of spike proteins from four SARS-CoV-2 variants of concern (VoC) to the human ACE2 receptor. They observe an increase in the RBD-ACE2 complex stability for several of the VoCs and derive how the mutations affect the kinetic, thermodynamic and structural properties of complex formation.Melanie KoehlerAnkita RayRodrigo A. MoreiraBlinera JunikuAdolfo B. PomaDavid AlsteensNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-13 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Melanie Koehler Ankita Ray Rodrigo A. Moreira Blinera Juniku Adolfo B. Poma David Alsteens Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
description	Here, the authors combine single-molecule atomic force spectroscopy measurements and molecular dynamics simulations to investigate the binding of spike proteins from four SARS-CoV-2 variants of concern (VoC) to the human ACE2 receptor. They observe an increase in the RBD-ACE2 complex stability for several of the VoCs and derive how the mutations affect the kinetic, thermodynamic and structural properties of complex formation.
format	article
author	Melanie Koehler Ankita Ray Rodrigo A. Moreira Blinera Juniku Adolfo B. Poma David Alsteens
author_facet	Melanie Koehler Ankita Ray Rodrigo A. Moreira Blinera Juniku Adolfo B. Poma David Alsteens
author_sort	Melanie Koehler
title	Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
title_short	Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
title_full	Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
title_fullStr	Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
title_full_unstemmed	Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
title_sort	molecular insights into receptor binding energetics and neutralization of sars-cov-2 variants
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/8d29b638bc874af1a0b0f812091804bf
work_keys_str_mv	AT melaniekoehler molecularinsightsintoreceptorbindingenergeticsandneutralizationofsarscov2variants AT ankitaray molecularinsightsintoreceptorbindingenergeticsandneutralizationofsarscov2variants AT rodrigoamoreira molecularinsightsintoreceptorbindingenergeticsandneutralizationofsarscov2variants AT blinerajuniku molecularinsightsintoreceptorbindingenergeticsandneutralizationofsarscov2variants AT adolfobpoma molecularinsightsintoreceptorbindingenergeticsandneutralizationofsarscov2variants AT davidalsteens molecularinsightsintoreceptorbindingenergeticsandneutralizationofsarscov2variants
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Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants

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