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A collection of designed peptides to target SARS-CoV-2 spike RBD-ACE2 interaction

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dc.contributor.author Fernández Fuentes, Narcís
dc.contributor.author Molina, Ruben
dc.contributor.author Oliva Miguel, Baldomero
dc.date.accessioned 2021-12-15T07:30:23Z
dc.date.available 2021-12-15T07:30:23Z
dc.date.issued 2021
dc.identifier.citation Fernandez-Fuentes N, Molina R, Oliva B. A collection of designed peptides to target SARS-CoV-2 spike RBD-ACE2 interaction. Int J Mol Sci. 2021;22(21):11627. DOI: 10.3390/ijms222111627
dc.identifier.issn 1422-0067
dc.identifier.uri http://hdl.handle.net/10230/49211
dc.description.abstract The angiotensin-converting enzyme 2 (ACE2) is the receptor used by SARS-CoV and SARS-CoV-2 coronaviruses to attach to cells via the receptor-binding domain (RBD) of their viral spike protein. Since the start of the COVID-19 pandemic, several structures of protein complexes involving ACE2 and RBD as well as monoclonal antibodies and nanobodies have become available. We have leveraged the structural data to design peptides to target the interaction between the RBD of SARS-CoV-2 and ACE2 and SARS-CoV and ACE2, as contrasting exemplar, as well as the dimerization surface of ACE2 monomers. The peptides were modelled using our original method: PiPreD that uses native elements of the interaction between the targeted protein and cognate partner(s) that are subsequently included in the designed peptides. These peptides recapitulate stretches of residues present in the native interface plus novel and highly diverse conformations surrogating key interactions at the interface. To facilitate the access to this information we have created a freely available and dedicated web-based repository, PepI-Covid19 database, providing convenient access to this wealth of information to the scientific community with the view of maximizing its potential impact in the development of novel therapeutic and diagnostic agents.
dc.format.mimetype application/pdf
dc.language.iso eng
dc.publisher MDPI
dc.relation.ispartof Int J Mol Sci. 2021;22(21):11627
dc.rights © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
dc.rights.uri http://creativecommons.org/licenses/by/4.0/
dc.title A collection of designed peptides to target SARS-CoV-2 spike RBD-ACE2 interaction
dc.type info:eu-repo/semantics/article
dc.identifier.doi http://dx.doi.org/10.3390/ijms222111627
dc.subject.keyword ACE2
dc.subject.keyword SARS-CoV-2
dc.subject.keyword Databases
dc.subject.keyword Peptide design
dc.subject.keyword Protein–protein interactions
dc.rights.accessRights info:eu-repo/semantics/openAccess
dc.type.version info:eu-repo/semantics/publishedVersion


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