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http://conacyt.repositorioinstitucional.mx/jspui/handle/1000/8820| Insights on cross-species transmission of SARS-CoV-2 from structural modeling | |
| João Rodrigues Susana Barrera-Vilarmau João Miguel Correia Teixeira Elizabeth Seckel Panagiotis Kastritis Michael Levitt | |
| Acceso Abierto | |
| Atribución-NoComercial-SinDerivadas | |
| https://doi.org/10.1101/2020.06.05.136861 | |
| https://www.biorxiv.org/content/10.1101/2020.06.05.136861v2 | |
| Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is responsible for the ongoing global pandemic that has infected more than 14 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. | |
| bioRxiv | |
| 23-07-2020 | |
| Preimpreso | |
| Inglés | |
| Público en general | |
| VIRUS RESPIRATORIOS | |
| Aparece en las colecciones: | Materiales de Consulta y Comunicados Técnicos |
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| Fichero | Tamaño | Formato | |
|---|---|---|---|
| Insights on cross-species transmission of SARS-CoV-2 from structural modeling.pdf | 1.91 MB | Adobe PDF | Visualizar/Abrir |