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Comparative Analysis of Nanomechanical Features of Coronavirus Spike Proteins and Correlation with Lethality and Infection Rate

The novel coronavirus disease 2019 (COVID-19) has spread rapidly around the world. Its causative virus, severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), enters human cells through the physical interaction between the receptor-binding domain (RBD) of its spike protein and the human cell...

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Detalles Bibliográficos
Autores principales: Hu, Yiwen, Buehler, Markus J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Inc. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7605853/
https://www.ncbi.nlm.nih.gov/pubmed/33163958
http://dx.doi.org/10.1016/j.matt.2020.10.032
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author Hu, Yiwen
Buehler, Markus J.
author_facet Hu, Yiwen
Buehler, Markus J.
author_sort Hu, Yiwen
collection PubMed
description The novel coronavirus disease 2019 (COVID-19) has spread rapidly around the world. Its causative virus, severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), enters human cells through the physical interaction between the receptor-binding domain (RBD) of its spike protein and the human cell receptor ACE2. Here, we provide a novel way of understanding coronavirus spike proteins, connecting their nanomechanical features, specifically their vibrational spectrum and quantitative measures of mobility, with virus lethality and infection rate. The key result of our work is that both the overall flexibility of upward RBD and the mobility ratio of RBDs in different conformations represent two significant factors that show a positive scaling with virus lethality and an inverse correlation with the infection rate. Our analysis shows that epidemiological virus properties can be linked directly to pure nanomechanical, vibrational aspects, offering an alternative way of screening new viruses and mutations, and potentially exploring novel ways to prevent infections from occurring.
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spelling pubmed-76058532020-11-03 Comparative Analysis of Nanomechanical Features of Coronavirus Spike Proteins and Correlation with Lethality and Infection Rate Hu, Yiwen Buehler, Markus J. Matter Article The novel coronavirus disease 2019 (COVID-19) has spread rapidly around the world. Its causative virus, severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), enters human cells through the physical interaction between the receptor-binding domain (RBD) of its spike protein and the human cell receptor ACE2. Here, we provide a novel way of understanding coronavirus spike proteins, connecting their nanomechanical features, specifically their vibrational spectrum and quantitative measures of mobility, with virus lethality and infection rate. The key result of our work is that both the overall flexibility of upward RBD and the mobility ratio of RBDs in different conformations represent two significant factors that show a positive scaling with virus lethality and an inverse correlation with the infection rate. Our analysis shows that epidemiological virus properties can be linked directly to pure nanomechanical, vibrational aspects, offering an alternative way of screening new viruses and mutations, and potentially exploring novel ways to prevent infections from occurring. Elsevier Inc. 2021-01-06 2020-11-02 /pmc/articles/PMC7605853/ /pubmed/33163958 http://dx.doi.org/10.1016/j.matt.2020.10.032 Text en © 2020 Elsevier Inc. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Hu, Yiwen
Buehler, Markus J.
Comparative Analysis of Nanomechanical Features of Coronavirus Spike Proteins and Correlation with Lethality and Infection Rate
title Comparative Analysis of Nanomechanical Features of Coronavirus Spike Proteins and Correlation with Lethality and Infection Rate
title_full Comparative Analysis of Nanomechanical Features of Coronavirus Spike Proteins and Correlation with Lethality and Infection Rate
title_fullStr Comparative Analysis of Nanomechanical Features of Coronavirus Spike Proteins and Correlation with Lethality and Infection Rate
title_full_unstemmed Comparative Analysis of Nanomechanical Features of Coronavirus Spike Proteins and Correlation with Lethality and Infection Rate
title_short Comparative Analysis of Nanomechanical Features of Coronavirus Spike Proteins and Correlation with Lethality and Infection Rate
title_sort comparative analysis of nanomechanical features of coronavirus spike proteins and correlation with lethality and infection rate
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7605853/
https://www.ncbi.nlm.nih.gov/pubmed/33163958
http://dx.doi.org/10.1016/j.matt.2020.10.032
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