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dc.contributor.authorRodrigues, João P. G. L. M.es_ES
dc.contributor.authorBarrera-Vilarmau, Susanaes_ES
dc.contributor.authorTeixeira, João M. C.es_ES
dc.contributor.authorSeckel, Elizabethes_ES
dc.contributor.authorKastritis, Panagiotis L.es_ES
dc.contributor.authorLevitt, Michaeles_ES
dc.date.accessioned2020-06-09T10:09:10Z-
dc.date.available2020-06-09T10:09:10Z-
dc.date.issued2020-06-05-
dc.identifier.urihttp://hdl.handle.net/10261/213872-
dc.description.abstractSevere 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.es_ES
dc.description.sponsorshipJPGLMR acknowledges support from the Molecular Sciences Software Institute (ACI-1547580). JPGLMR and ML acknowledge funding from the National Institutes of Health USA (R35GM122543). PLK acknowledges funding from the Federal Ministry for Education and Research (BMBF, ZIK program) (02Z22HN23) and the European Regional Development Funds for Saxony-Anhalt (EFRE: ZS/2016/04/78115).es_ES
dc.language.isoenges_ES
dc.publisherBioRxives_ES
dc.relation.isversionofPreprintes_ES
dc.rightsopenAccesses_ES
dc.titleInsights on cross-species transmission of SARS-CoV-2 from structural modelinges_ES
dc.typeartículoes_ES
dc.identifier.doihttp://dx.doi.org/10.1101/2020.06.05.136861-
dc.description.peerreviewedNoes_ES
dc.relation.publisherversionhttps://doi.org/10.1101/2020.06.05.136861es_ES
dc.rights.licensehttps://creativecommons.org/licenses/by-nc-nd/4.0/es_ES
dc.contributor.funderMolecular Sciences Software Institutees_ES
dc.contributor.funderNational Institutes of Health (US)es_ES
dc.contributor.funderFederal Ministry of Education and Research (Germany)es_ES
dc.contributor.funderEuropean Commissiones_ES
dc.relation.csices_ES
oprm.item.hasRevisionno ko 0 false*
dc.identifier.funderhttp://dx.doi.org/10.13039/501100002347es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/100000002es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100000780es_ES
dc.contributor.orcidRodrigues, João P. G. L. M. [0000-0001-9796-3193]es_ES
dc.contributor.orcidBarrera-Vilarmau, Susana [0000-0003-4868-6593]es_ES
dc.contributor.orcidTeixeira, João M. C. [0000-0002-9113-0622]es_ES
dc.contributor.orcidSeckel, Elizabeth [0000-0001-5910-649X]es_ES
dc.contributor.orcidKastritis, Panagiotis L. [0000-0002-1463-8422]es_ES
dc.contributor.orcidLevitt, Michael [0000-0002-8414-7397]es_ES
Appears in Collections:(IQAC) Artículos
(VICYT) Colección Especial COVID-19
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