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A novel structure-based approach for identification of vertebrate susceptibility to SARS-CoV-2: Implications for future surveillance programmes
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Abstract
Understanding the origin of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been a highly debatable and unresolved issue for scientific communities all over the world. Understanding the mechanism of virus entry to the host cells is crucial to deciphering the susceptibility profiles of animal species to SARS-CoV-2. The interaction of SARS-CoV-2 ligands (receptor-binding domain on spike protein) with its host cell receptor, angiotensin-converting enzyme 2 (ACE2), is a critical determinant of host range and cross-species transmission. In this study, we developed and implemented a rigorous computational approach for predicting binding affinity between 299 ACE2 orthologs from diverse vertebrate species and the SARS-CoV-2 spike protein. The findings show that the SARS-CoV-2 spike protein can bind to a wide range of vertebrate species carrying evolutionary divergent ACE2, implying a broad host range at the virus entry level, which may contribute to cross-species transmission and further viral evolution. Furthermore, the current study facilitated the identification of genetic determinants that may differentiate susceptible from resistant host species based on the conservation of ACE2-spike protein interacting residues in vertebrate host species known to facilitate SARS-CoV-2 infection; however, these genetic determinants warrant in vivo experimental confirmation. The molecular interactions associated with varied binding affinity of distinct ACE2 isoforms in a specific bat species were identified using protein structure analysis, implying the existence of diversified bat species' susceptibility to SARS-CoV-2. The current study's findings highlight the importance of intensive surveillance programmes aimed at identifying susceptible hosts, especially those with the potential to transmit zoonotic pathogens, in order to prevent future outbreaks.
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Highly accurate protein structure prediction with AlphaFold
Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Ronneberger, O., Tunyasuvunakool, K., Bates, R., Žídek, A., Potapenko, A., et al. (2021) · Nature · doi:10.1038/s41586-021-03819-2 · Cited by 43,764
Evolutionary origins of the SARS-CoV-2 sarbecovirus lineage responsible for the COVID-19 pandemic
Boni, M. F., Lemey, P., Jiang, X., Lam, T. T.-Y., Perry, B. W., Castoe, T. A., Rambaut, A., & Robertson, D. L. (2020) · Nature Microbiology · doi:10.1038/s41564-020-0771-4 · Cited by 1,014
Responses to acute infection with SARS-CoV-2 in the lungs of rhesus macaques, baboons and marmosets
Singh, D. K., Singh, B., Ganatra, S. R., Gazi, M., Cole, J., Thippeshappa, R., Alfson, K. J., Clemmons, E., Gonzalez, O., Escobedo, R., et al. (2020) · Nature Microbiology · doi:10.1038/s41564-020-00841-4 · Cited by 209
Flagged first, then by citations
Research works printed but not linked: 48
- Bitencourt-Ferreira, 2019, Homology modeling of protein targets with MODELLER, Methods Mol. Biol., 2053, 231, 10.1007/978-1-4939-9752-7_15 · DOI
- Damas, 2020, Broad host range of SARS-CoV-2 predicted by comparative and structural analysis of ACE2 in vertebrates, Proc. Natl. Acad. Sci. U. S. A., 117, 22311, 10.1073/pnas.2010146117 · DOI · Paper page
- Darriba, 2012, jModelTest 2: more models, new heuristics and parallel computing, Nat. Methods, 9, 772, 10.1038/nmeth.2109 · DOI
- Heo, 2013, GalaxyRefine: protein structure refinement driven by side-chain repacking, Nucleic Acids Res., 41, W384, 10.1093/nar/gkt458 · DOI
- Heo, 2016, GalaxyRefineComplex: refinement of protein-protein complex model structures driven by interface repacking, Sci. Rep., 6, 32153, 10.1038/srep32153 · DOI
- Hossain, 2021, SARS-CoV-2 host diversity: an update of natural infections and experimental evidence, J. Microbiol. Immunol. Infect., 54, 175, 10.1016/j.jmii.2020.06.006 · DOI
- Katoh, 2019, MAFFT online service: multiple sequence alignment, interactive sequence choice and visualization, Brief Bioinform, 20, 1160, 10.1093/bib/bbx108 · DOI · Paper page
- Kaushik, 2016, Structural difficulty index: a reliable measure for modelability of protein tertiary structures, Protein Eng. Des. Sel., 29, 391, 10.1093/protein/gzw025 · DOI
- Kaushik, 2020, A protein sequence fitness function for identifying natural and nonnatural proteins, Proteins, 88, 1271, 10.1002/prot.25900 · DOI
- Kaushik, 2018, Where informatics lags chemistry leads, Biochemistry, 57, 503, 10.1021/acs.biochem.7b01073 · DOI
- Kaushik, 2022, ProFitFun: a protein tertiary structure fitness function for quantifying the accuracies of model structures, Bioinformatics, 38, 369, 10.1093/bioinformatics/btab666 · DOI
- Kuchipudi, 2022, Multiple spillovers and onward transmission of SARS-Cov-2 in free-living and captive White-tailed deer, PNAS, 119, 10.1073/pnas.2121644119 · DOI
- Kumar, 2021, A novel consensus-based computational pipeline for rapid screening of antibody therapeutics for efficacy against SARS-CoV-2 variants of concern including omicron variant, bioRxiv
- Kumar, 2021, Evolutionary signatures governing the codon usage bias in coronaviruses and their implications for viruses infecting various bat species, Viruses, 13, 1847, 10.3390/v13091847 · DOI
- Lan, 2020, Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor, Nature, 581, 215, 10.1038/s41586-020-2180-5 · DOI · Paper page
- Latinne, 2020, Origin and cross-species transmission of bat coronaviruses in China, Nat. Commun., 11, 4235, 10.1038/s41467-020-17687-3 · DOI
- Li, 2021, The Rhinolophus affinis bat ACE2 and multiple animal orthologs are functional receptors for bat coronavirus RaTG13 and SARS-CoV-2, Sci. Bull., 66, 1215, 10.1016/j.scib.2021.01.011 · DOI
- Liu, 2015, PDB-wide collection of binding data: current status of the PDBbind database, Bioinformatics, 31, 405, 10.1093/bioinformatics/btu626 · DOI
- Liu, 2021, Cross-species recognition of SARS-CoV-2 to bat ACE2, Proc. Natl. Acad. Sci. U. S. A., 118
- Liu, 2021, vol. 118
- Malik, 2020, vol. 9
- Malik, 2021, How artificial intelligence may help the Covid-19 pandemic: pitfalls and lessons for the future, Rev. Med. Virol., 31, 1, 10.1002/rmv.2205 · DOI
- Malik, 2021, Evolutionary and codon usage preference insights into spike glycoprotein of SARS-CoV-2, Briefings Bioinf., 22, 1006, 10.1093/bib/bbaa383 · DOI
- McGuffin, 2021, ModFOLD8: accurate global and local quality estimates for 3D protein models, Nucleic Acids Res., 49, W425, 10.1093/nar/gkab321 · DOI
- Mishra, 2021, SARS-CoV-2 delta variant among asiatic lions, India, Emerg. Infect. Dis., 27, 2723, 10.3201/eid2710.211500 · DOI
- O'Leary, 2016, Reference sequence (RefSeq) database at NCBI: current status, taxonomic expansion, and functional annotation, Nucleic Acids Res., 44, D733, 10.1093/nar/gkv1189 · DOI · Paper page
- Olechnovič, 2019, VoroMQA web server for assessing three-dimensional structures of proteins and protein complexes, Nucleic Acids Res., 47, W437, 10.1093/nar/gkz367 · DOI
- Rodrigues, 2020, Insights on cross-species transmission of SARS-CoV-2 from structural modeling, PLoS Comput. Biol., 16, 10.1371/journal.pcbi.1008449 · DOI
- Shang, 2020, Cell entry mechanisms of SARS-CoV-2, Proc. Natl. Acad. Sci. U. S. A., 117, 11727, 10.1073/pnas.2003138117 · DOI · Paper page
- Shang, 2020, Structural basis of receptor recognition by SARS-CoV-2, Nature, 581, 221, 10.1038/s41586-020-2179-y · DOI · Paper page
- Shi, 2020, Susceptibility of ferrets, cats, dogs, and other domesticated animals to SARS-coronavirus 2, Science, 368, 1016, 10.1126/science.abb7015 · DOI
- Singh, 2016, ProTSAV: a protein tertiary structure analysis and validation server, Biochim. Biophys. Acta, 1864, 11, 10.1016/j.bbapap.2015.10.004 · DOI
- Stamatakis, 2014, RAxML version 8: a tool for phylogenetic analysis and post-analysis of large phylogenies, Bioinformatics, 30, 1312, 10.1093/bioinformatics/btu033 · DOI · Paper page
- Sun, 2020, COVID-19: epidemiology, evolution, and cross-disciplinary perspectives, Trends Mol. Med., 26, 483, 10.1016/j.molmed.2020.02.008 · DOI
- Szilagyi, 2014, Template-based structure modeling of protein-protein interactions, Curr. Opin. Struct. Biol., 24, 10, 10.1016/j.sbi.2013.11.005 · DOI
- Tamura, 2004, Prospects for inferring very large phylogenies by using the neighbor-joining method, Proc. Natl. Acad. Sci. U. S. A., 101, 11030, 10.1073/pnas.0404206101 · DOI
- van Aart, 2021, SARS-CoV-2 infection in cats and dogs in infected mink farms, Transbound Emerg. Dis., 00, 1
- Wan, 2020, Receptor recognition by the novel coronavirus from Wuhan: an analysis based on decade-long structural studies of SARS coronavirus, J. Virol., 94, 10.1128/JVI.00127-20 · DOI · Paper page
- 2021, vol. 2021
- Wu, 2020, Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2, Cell Discov., 6, 68, 10.1038/s41421-020-00210-9 · DOI
- Xue, 2016, PRODIGY: a web server for predicting the binding affinity of protein-protein complexes, Bioinformatics, 32, 3676, 10.1093/bioinformatics/btw514 · DOI
- Yan, 2021, ACE2 receptor usage reveals variation in susceptibility to SARS-CoV and SARS-CoV-2 infection among bat species, Nat. Ecol. Evol., 5, 600, 10.1038/s41559-021-01407-1 · DOI
- Yang, 2015, The I-TASSER Suite: protein structure and function prediction, Nat. Methods, 12, 7, 10.1038/nmeth.3213 · DOI · Paper page
- Yang, 2020, Improved protein structure prediction using predicted interresidue orientations, Proc. Natl. Acad. Sci. U. S. A., 117, 1496, 10.1073/pnas.1914677117 · DOI · Paper page
- Zhang, 2020, Probable pangolin origin of SARS-CoV-2 associated with the COVID-19 outbreak, Curr. Biol., 30, 1346, 10.1016/j.cub.2020.03.022 · DOI · Paper page
- Zhang, 2021, The molecular basis for SARS-CoV-2 binding to dog ACE2, Nat. Commun., 12, 4195, 10.1038/s41467-021-24326-y · DOI
- Zhou, 2020, A pneumonia outbreak associated with a new coronavirus of probable bat origin, Nature, 579, 270, 10.1038/s41586-020-2012-7 · DOI · Paper page
- Zhou, 2021, Identification of novel bat coronaviruses sheds light on the evolutionary origins of SARS-CoV-2 and related viruses, Cell, 184, 4380, 10.1016/j.cell.2021.06.008 · DOI
Metadata
- Authors
- Kaushik, R., Kumar, N., Zhang, K. Y. J., Srivastava, P., Bhatia, S., & Malik, Y. S.
- Affiliations
- RIKEN (JP)
- National Institute of High Security Animal Diseases (IN)
- Guru Angad Dev Veterinary and Animal Sciences University (IN)
- Corresponding author
- Malik, Yashpal Singh
- Venue
- Environmental Research
- Publisher
- Elsevier BV
- Published
- 2022-09
- Volume
- 212
- Issue
- Pt C
- Pages
- 113303
- ISSN
- 0013-9351 (ISSN-L)
- PMC
- PMC9020514
- OpenAlex
- W4225606090
- Cited by
- 13
- References
- 3
- Citations by year
- 2026: 4 · 2024: 4 · 2023: 3 · 2022: 2
- FWCI
- 1.10
- Type
- journal article
- Language
- en
- Open access
- green
- doi.org
- Licence
- Locations
- Environmental Research (publishedVersion)
- bioRxiv (Cold Spring Harbor Laboratory) (acceptedVersion)
- PubMed Central (publishedVersion)
- PubMed (publishedVersion)
- Funders
- ICAR - National Agricultural Science Fund (NASF/ABA-8028/2020-21)
- Japan Society for the Promotion of Science (18H02395)
- Topics
- Health Sciences › Medicine › Infectious Diseases › SARS-CoV-2 and COVID-19 Research
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › vaccines and immunoinformatics approaches
- Life Sciences › Agricultural and Biological Sciences › Animal Science and Zoology › Animal Virus Infections Studies
- Keywords
- SARS-CoV-2, ACE2, spike protein, host range, interspecies transmission, binding affinity prediction, zoonotic pathogens, receptor binding domain
- MeSH terms
- Angiotensin-Converting Enzyme 2, COVID-19, SARS-CoV-2, Animals, Humans, Peptidyl-Dipeptidase A, Vertebrates, Spike Glycoprotein, Coronavirus
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