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Modeling SARS-CoV-2 spike/ACE2 protein-protein interactions for predicting the binding affinity of new spike variants for ACE2, and novel ACE2 structurally related human protein targets, for COVID-19 handling in the 3PM context.

ABSTRACT:

SUBMITTER: Tragni V

PROVIDER: S-EPMC8732965 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature

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Modeling SARS-CoV-2 spike/ACE2 protein-protein interactions for predicting the binding affinity of new spike variants for ACE2, and novel ACE2 structurally related human protein targets, for COVID-19 handling in the 3PM context.

Tragni Vincenzo V Preziusi Francesca F Laera Luna L Onofrio Angelo A Mercurio Ivan I Todisco Simona S Volpicella Mariateresa M De Grassi Anna A Pierri Ciro Leonardo CL

The EPMA journal 20220106 1

<h4>Aims</h4>The rapid spread of new SARS-CoV-2 variants has highlighted the crucial role played in the infection by mutations occurring at the SARS-CoV-2 spike receptor binding domain (RBD) in the interactions with the human ACE2 receptor. In this context, it urgently needs to develop new rapid tools for quickly predicting the affinity of ACE2 for the SARS-CoV-2 spike RBD protein variants to be used with the ongoing SARS-CoV-2 genomic sequencing activities in the clinics, aiming to gain clues a ...[more]

PMID: 35013687

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