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Título: | Insights on cross-species transmission of SARS-CoV-2 from structural modeling |
Autor: | Rodrigues, João P. G. L. M.; Barrera-Vilarmau, Susana CSIC ORCID; Teixeira, João M. C.; Seckel, Elizabeth; Kastritis, Panagiotis L.; Levitt, Michael | Fecha de publicación: | 5-jun-2020 | Editor: | BioRxiv | Resumen: | Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is responsible for the ongoing global pandemic that has infected more than 6 million people in more than 180 countries worldwide. Like other coronaviruses, SARS-CoV-2 is thought to have been transmitted to humans from wild animals. Given the scale and widespread geographical distribution of the current pandemic, the question emerges whether human-to-animal transmission is possible and if so, which animal species are most at risk. Here, we investigated the structural properties of several ACE2 orthologs bound to the SARS-CoV-2 spike protein. We found that species known not to be susceptible to SARS-CoV-2 infection have non-conservative mutations in several ACE2 amino acid residues that disrupt key polar and charged contacts with the viral spike protein. Our models also predict affinity-enhancing mutations that could be used to design ACE2 variants for therapeutic purposes. Finally, our study provides a blueprint for modeling viral-host protein interactions and highlights several important considerations when designing these computational studies and analyzing their results. | Versión del editor: | https://doi.org/10.1101/2020.06.05.136861 | URI: | http://hdl.handle.net/10261/213872 | DOI: | 10.1101/2020.06.05.136861 |
Aparece en las colecciones: | (PTI Salud Global) Colección Especial COVID-19 (IQAC) Artículos |
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2020.06.05.136861v1.full.pdf | 1,27 MB | Adobe PDF | Visualizar/Abrir |
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