Predicted structural mimicry of spike receptor-binding motifs from highly pathogenic human coronaviruses
| Autor: | Pedro H M Torres, Sharif Hala, Liviu Copoiu, Christopher A. Beaudoin, Tom L. Blundell, Ali F. Alsulami, Arian R. Jamasb, Andries J. van Tonder, Sherine E. Thomas, Bridget P. Bannerman, Sundeep Chaitanya Vedithi |
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| Přispěvatelé: | Jamasb, Arian [0000-0002-6727-7579], Copoiu, Liviu [0000-0001-9329-114X], Van Tonder, Andries [0000-0002-4380-5250], Bannerman, Bridget [0000-0002-5746-8283], Thomas, Sherine [0000-0003-1152-4312], Vedithi, Sundeep Chaitanya [0000-0003-3474-4705], Blundell, Tom [0000-0002-2708-8992], Apollo - University of Cambridge Repository |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Biophysics
Druggability Peptide Computational biology Biology ENCODE medicine.disease_cause Biochemistry Epitope Structural bioinformatics MERS-CoV Docking (dog) Structural Biology Coronavirus spike protein Genetics medicine Macromolecular docking Tropism Coronavirus chemistry.chemical_classification Infectious disease SARS-CoV-2 COVID-19 SARS-CoV Viral host mimicry Computer Science Applications chemistry Mimicry Spike (software development) TP248.13-248.65 Proto-oncogene tyrosine-protein kinase Src Biotechnology |
| Zdroj: | Computational and Structural Biotechnology Journal, Vol 19, Iss, Pp 3938-3953 (2021) |
| ISSN: | 2001-0370 |
| Popis: | SummaryViruses often encode proteins that mimic host proteins in order to facilitate infection. Little work has been done to understand the potential mimicry of the SARS-CoV-2, SARS-CoV, and MERS-CoV spike proteins, particularly the receptor-binding motifs, which could be important in determining tropism of the virus. Here, we use structural bioinformatics software to characterize potential mimicry of the three coronavirus spike protein receptor-binding motifs. We utilize sequence-independent alignment tools to compare structurally known or predicted three-dimensional protein models with the receptor-binding motifs and verify potential mimicry with protein docking simulations. Both human and non-human proteins were found to be similar to all three receptor-binding motifs. Similarity to human proteins may reveal which pathways the spike protein is co-opting, while analogous non-human proteins may indicate shared host interaction partners and overlapping antibody cross-reactivity. These findings can help guide experimental efforts to further understand potential interactions between human and coronavirus proteins.HighlightsPotential coronavirus spike protein mimicry revealed by structural comparisonHuman and non-human protein potential interactions with virus identifiedPredicted structural mimicry corroborated by protein-protein dockingEpitope-based alignments may help guide vaccine effortsGraphical abstract |
| Databáze: | OpenAIRE |
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