Key result
Molecular dynamics simulations revealed that SARS-CoV-2 Nsp1 has a less compact structure than SARS-CoV-1 Nsp1, with mutations in the helix-loop-helix motif potentially affecting ribosome interactions.
Why the study?
Despite the relevance of SARS-CoV-2 Nsp1 as a virulence factor, few studies have investigated the effect of mutations on its structure and function.
Molecular dynamics simulations reveal that SARS-CoV-2 Nsp1 has a less compact structure than SARS-CoV-1 Nsp1, which may affect host-virus interactions and virulence.
SARS-CoV-2 Nsp1 less compact structure may alter virulence; leaves open mutation effects on function pending experimental validation.
SARS-CoV-2 non-structural protein 1 (Nsp1) is a virulence factor that inhibits the innate immune response and translation of host mRNAs. Despite the relevance of Nsp1, few studies have been conducted to understand the effect of mutations on Nsp1 structure and function. Here, we provide a molecular dynamics simulation of SARS-CoV-2 and SARS-CoV-1 Nsp1 conformational changes. Our data supports the idea that SARS-CoV-2 Nsp1 has a less compact structure than SARS-CoV-1 Nsp1. Moreover, several mutations in the helix-loop-helix motif of Nsp1 C-terminal that may affect the interactions of the Nsp1-ribosome complex were investigated. Disordered regions in Nsp1 probably affect host-virus interactions, cross-species transmission, and virus-host range. Overall, these findings reinforce the importance of studying Nsp1 conformational changes in new variants and its effect on virulence of SARS-CoV-2, by altering inhibition potency of host mRNA translation efficiency.
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Rezaei et al. (2021) studied SARS-CoV-2. Molecular dynamics simulation of Nsp1 vs. SARS-CoV-1 Nsp1 was evaluated on Nsp1 conformational changes and structural compactness. Molecular dynamics simulations revealed that SARS-CoV-2 Nsp1 has a less compact structure than SARS-CoV-1 Nsp1, with mutations in the helix-loop-helix motif potentially affecting ribosome interactions.
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