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

Paper ID Volume ID Publish Year Pages File Format Full-Text
15496 1417 2007 4 PDF Available
Title
Computational simulation of interactions between SARS coronavirus spike mutants and host species-specific receptors
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.

Keywords
SARS coronavirus; Spike protein; ACE2; Receptor-binding specificity; Structural bioinformatics
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Computational simulation of interactions between SARS coronavirus spike mutants and host species-specific receptors
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Publisher
Database: Elsevier - ScienceDirect
Journal: Computational Biology and Chemistry - Volume 31, Issue 2, April 2007, Pages 134–137
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us