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The effect of mutations on binding interactions between the SARS-CoV-2 receptor binding domain and neutralizing antibodies B38 and CB6

Sci Rep. 2022-11; 
Jonathan E Barnes, Peik K Lund-Andersen, Jagdish Suresh Patel, F Marty Ytreberg
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Proteins, Expression, Isolation and Analysis … might effectively neutralize variant B.1.1.7 (alpha), but that neutralizing titers against … covering the full-length spike protein in duplicate (GenScript, RP30020). The cells were first cultured … Get A Quote

摘要

SARS-CoV-2 is the pathogen responsible for COVID-19 that has claimed over six million lives as of July 2022. The severity of COVID-19 motivates a need to understand how it could evolve to escape potential treatments and to find ways to strengthen existing treatments. Here, we used the molecular modeling methods MD + FoldX and PyRosetta to study the SARS-CoV-2 spike receptor binding domain (S-RBD) bound to two neutralizing antibodies, B38 and CB6 and generated lists of antibody escape and antibody strengthening mutations. Our resulting watchlist contains potential antibody escape mutations against B38/CB6 and consists of 211/186 mutations across 35/22 S-RBD sites. Some of these mutations have been identified... More

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