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Computational simulation of interactions between SARS coronavirus spike mutants and host species-specific receptors.

Identifieur interne : 001E47 ( PubMed/Checkpoint ); précédent : 001E46; suivant : 001E48

Computational simulation of interactions between SARS coronavirus spike mutants and host species-specific receptors.

Auteurs : Yuan Zhang [République populaire de Chine] ; Nan Zheng ; Peng Nan ; Ying Cao ; Masami Hasegawa ; Yang Zhong

Source :

RBID : pubmed:17368104

Descripteurs français

English descriptors

Abstract

As a critical adaptive mechanism, amino acid replacements on the severe acute respiratory syndrome coronavirus (SARS-CoV) spike protein could alter the receptor-binding specificity of this envelope glycoprotein and in turn lead to the emergence or reemergence of this viral zoonosis. Based on the X-ray structures of SARS-CoV spike receptor-binding domain (RBD) in complex with its functional receptor (angiotensin-converting enzyme 2, ACE2), we perform computational simulations of interactions between three representative RBD mutants and four host species-specific receptors. The comparisons between computational predictions and experimental evidences validate our structural bioinformatics approaches. And the predictions further indicate that some viral prototypes might utilize the rat ACE2 while rats might serve as a vector or reservoir of SARS-CoV.

DOI: 10.1016/j.compbiolchem.2007.02.006
PubMed: 17368104


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pubmed:17368104

Le document en format XML

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<div type="abstract" xml:lang="en">As a critical adaptive mechanism, amino acid replacements on the severe acute respiratory syndrome coronavirus (SARS-CoV) spike protein could alter the receptor-binding specificity of this envelope glycoprotein and in turn lead to the emergence or reemergence of this viral zoonosis. Based on the X-ray structures of SARS-CoV spike receptor-binding domain (RBD) in complex with its functional receptor (angiotensin-converting enzyme 2, ACE2), we perform computational simulations of interactions between three representative RBD mutants and four host species-specific receptors. The comparisons between computational predictions and experimental evidences validate our structural bioinformatics approaches. And the predictions further indicate that some viral prototypes might utilize the rat ACE2 while rats might serve as a vector or reservoir of SARS-CoV.</div>
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<name sortKey="Cao, Ying" sort="Cao, Ying" uniqKey="Cao Y" first="Ying" last="Cao">Ying Cao</name>
<name sortKey="Hasegawa, Masami" sort="Hasegawa, Masami" uniqKey="Hasegawa M" first="Masami" last="Hasegawa">Masami Hasegawa</name>
<name sortKey="Nan, Peng" sort="Nan, Peng" uniqKey="Nan P" first="Peng" last="Nan">Peng Nan</name>
<name sortKey="Zheng, Nan" sort="Zheng, Nan" uniqKey="Zheng N" first="Nan" last="Zheng">Nan Zheng</name>
<name sortKey="Zhong, Yang" sort="Zhong, Yang" uniqKey="Zhong Y" first="Yang" last="Zhong">Yang Zhong</name>
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<country name="République populaire de Chine">
<noRegion>
<name sortKey="Zhang, Yuan" sort="Zhang, Yuan" uniqKey="Zhang Y" first="Yuan" last="Zhang">Yuan Zhang</name>
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