Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization

The sequential determination of crystal structures of the SARS coronavirus spike receptor-binding domain (RBD) in complex with its cellular receptor or neutralizing antibody opened a door for the design and development of antiviral competitive inhibitors. Based on those complex structures, we conduc...

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Detalles Bibliográficos
Autores principales: Zhang, Yuan, Zheng, Nan, Zhong, Yang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2007
Materias:
Brief Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7106420/
https://www.ncbi.nlm.nih.gov/pubmed/17374510
http://dx.doi.org/10.1016/j.compbiolchem.2007.02.005
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author Zhang, Yuan
Zheng, Nan
Zhong, Yang
author_facet Zhang, Yuan
Zheng, Nan
Zhong, Yang
author_sort Zhang, Yuan
collection PubMed
description The sequential determination of crystal structures of the SARS coronavirus spike receptor-binding domain (RBD) in complex with its cellular receptor or neutralizing antibody opened a door for the design and development of antiviral competitive inhibitors. Based on those complex structures, we conduct computational characterization and design of RBD-mediated receptor recognition and antibody neutralization. The comparisons between computational predictions and experimental evidences validate our structural bioinformatics protocols. And the calculations predict a number of single substitutions on RBD, receptor or antibody that could remarkably elevate the binding affinities of those complexes. It is reasonable to anticipate our structure-based computation-derived hypotheses could be informative to the future biochemical and immunological tests.
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spelling pubmed-71064202020-03-31 Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization Zhang, Yuan Zheng, Nan Zhong, Yang Comput Biol Chem Brief Communication The sequential determination of crystal structures of the SARS coronavirus spike receptor-binding domain (RBD) in complex with its cellular receptor or neutralizing antibody opened a door for the design and development of antiviral competitive inhibitors. Based on those complex structures, we conduct computational characterization and design of RBD-mediated receptor recognition and antibody neutralization. The comparisons between computational predictions and experimental evidences validate our structural bioinformatics protocols. And the calculations predict a number of single substitutions on RBD, receptor or antibody that could remarkably elevate the binding affinities of those complexes. It is reasonable to anticipate our structure-based computation-derived hypotheses could be informative to the future biochemical and immunological tests. Elsevier Ltd. 2007-04 2007-02-17 /pmc/articles/PMC7106420/ /pubmed/17374510 http://dx.doi.org/10.1016/j.compbiolchem.2007.02.005 Text en Copyright © 2007 Elsevier Ltd. All rights reserved. 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 Brief Communication
Zhang, Yuan
Zheng, Nan
Zhong, Yang
Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
title Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
title_full Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
title_fullStr Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
title_full_unstemmed Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
title_short Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
title_sort computational characterization and design of sars coronavirus receptor recognition and antibody neutralization
topic Brief Communication
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7106420/
https://www.ncbi.nlm.nih.gov/pubmed/17374510
http://dx.doi.org/10.1016/j.compbiolchem.2007.02.005
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