{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,26]],"date-time":"2026-04-26T18:31:35Z","timestamp":1777228295271,"version":"3.51.4"},"reference-count":37,"publisher":"MDPI AG","issue":"21","license":[{"start":{"date-parts":[[2021,10,27]],"date-time":"2021-10-27T00:00:00Z","timestamp":1635292800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Ser Cymru III","award":["WG#9"],"award-info":[{"award-number":["WG#9"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>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.<\/jats:p>","DOI":"10.3390\/ijms222111627","type":"journal-article","created":{"date-parts":[[2021,10,27]],"date-time":"2021-10-27T22:00:23Z","timestamp":1635372023000},"page":"11627","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["A Collection of Designed Peptides to Target SARS-CoV-2 Spike RBD\u2014ACE2 Interaction"],"prefix":"10.3390","volume":"22","author":[{"given":"Narcis","family":"Fernandez-Fuentes","sequence":"first","affiliation":[{"name":"Institute of Biological, Environmental and Rural Science, Aberystwyth University, Aberystwyth SY233EB, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ruben","family":"Molina","sequence":"additional","affiliation":[{"name":"Structural Bioinformatics Lab, Department of Experimental and Health Sciences, University Pompeu Fabra, 08003 Barcelona, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Baldo","family":"Oliva","sequence":"additional","affiliation":[{"name":"Structural Bioinformatics Lab, Department of Experimental and Health Sciences, University Pompeu Fabra, 08003 Barcelona, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2021,10,27]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1016\/S0140-6736(20)30251-8","article-title":"Genomic characterisation and epidemiology of 2019 novel coronavirus: Implications for virus origins and receptor binding","volume":"395","author":"Lu","year":"2020","journal-title":"Lancet"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"1864","DOI":"10.1126\/science.1116480","article-title":"Structure of SARS coronavirus spike receptor-binding domain complexed with receptor","volume":"309","author":"Li","year":"2005","journal-title":"Science"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"1293","DOI":"10.1128\/JVI.02202-13","article-title":"TMPRSS2 and ADAM17 cleave ACE2 differentially and only proteolysis by TMPRSS2 augments entry driven by the severe acute respiratory syndrome coronavirus spike protein","volume":"88","author":"Heurich","year":"2014","journal-title":"J. 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