A Collection of Designed Peptides to Target SARS-CoV-2 Spike RBD—ACE2 Interaction
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...
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MDPI AG
2021
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oai:doaj.org-article:7f0fa4f75a5e4b008d3c0c40882c1a0a2021-11-11T17:06:14ZA Collection of Designed Peptides to Target SARS-CoV-2 Spike RBD—ACE2 Interaction10.3390/ijms2221116271422-00671661-6596https://doaj.org/article/7f0fa4f75a5e4b008d3c0c40882c1a0a2021-10-01T00:00:00Zhttps://www.mdpi.com/1422-0067/22/21/11627https://doaj.org/toc/1661-6596https://doaj.org/toc/1422-0067The 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, Pep<i>I</i>-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.Narcis Fernandez-FuentesRuben MolinaBaldo OlivaMDPI AGarticlepeptide designSARS-CoV-2ACE2protein–protein interactionsdatabasesBiology (General)QH301-705.5ChemistryQD1-999ENInternational Journal of Molecular Sciences, Vol 22, Iss 11627, p 11627 (2021) |
| institution |
DOAJ |
| collection |
DOAJ |
| language |
EN |
| topic |
peptide design SARS-CoV-2 ACE2 protein–protein interactions databases Biology (General) QH301-705.5 Chemistry QD1-999 |
| spellingShingle |
peptide design SARS-CoV-2 ACE2 protein–protein interactions databases Biology (General) QH301-705.5 Chemistry QD1-999 Narcis Fernandez-Fuentes Ruben Molina Baldo Oliva A Collection of Designed Peptides to Target SARS-CoV-2 Spike RBD—ACE2 Interaction |
| description |
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, Pep<i>I</i>-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. |
| format |
article |
| author |
Narcis Fernandez-Fuentes Ruben Molina Baldo Oliva |
| author_facet |
Narcis Fernandez-Fuentes Ruben Molina Baldo Oliva |
| author_sort |
Narcis Fernandez-Fuentes |
| title |
A Collection of Designed Peptides to Target SARS-CoV-2 Spike RBD—ACE2 Interaction |
| title_short |
A Collection of Designed Peptides to Target SARS-CoV-2 Spike RBD—ACE2 Interaction |
| title_full |
A Collection of Designed Peptides to Target SARS-CoV-2 Spike RBD—ACE2 Interaction |
| title_fullStr |
A Collection of Designed Peptides to Target SARS-CoV-2 Spike RBD—ACE2 Interaction |
| title_full_unstemmed |
A Collection of Designed Peptides to Target SARS-CoV-2 Spike RBD—ACE2 Interaction |
| title_sort |
collection of designed peptides to target sars-cov-2 spike rbd—ace2 interaction |
| publisher |
MDPI AG |
| publishDate |
2021 |
| url |
https://doaj.org/article/7f0fa4f75a5e4b008d3c0c40882c1a0a |
| work_keys_str_mv |
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