A collection of designed peptides to target sars‐cov‐2 spike rbd—ace2 interaction

Narcis Fernandez‐fuentes, Ruben Molina, Baldo Oliva

Allbwn ymchwil: Cyfraniad at gyfnodolynErthygladolygiad gan gymheiriaid

4 Dyfyniadau (Scopus)

Crynodeb

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 dimer-ization 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 resi-dues 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.

Iaith wreiddiolSaesneg
Rhif yr erthygl11627
CyfnodolynInternational Journal of Molecular Sciences
Cyfrol22
Rhif cyhoeddi21
Dynodwyr Gwrthrych Digidol (DOIs)
StatwsCyhoeddwyd - 27 Hyd 2021

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