What is it about?
While it's known that COVID-19 can lead to severe symptoms in patients with comorbidities, the precise role of comorbidities in influencing disease severity and the evolution of SARS-CoV-2 remains unclear. Our research addresses this gap by employing correlation analysis and molecular dynamics simulations. We have demonstrated that patients with comorbidities exhibit a higher frequency of mutations. Furthermore, our analysis reveals that the enzyme responsible for initiating viral replication (PLPro) in patients with elevated comorbidities carries mutations that may enhance protein stability, consequently improving enzyme function.
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Why is it important?
Our findings correlate real clinical data from patients and link these to molecular dynamic simulations of the proteins sequenced from the patients. In essence, molecular simulations were applied to clinical data, such as patient comorbidities, and this methodology could be extrapolated to analyze other similar clinical information.
Perspectives
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This page is a summary of: Unravelling the link between SARS-CoV-2 mutation frequencies, patient comorbidities, and structural dynamics, PLoS ONE, March 2024, PLOS,
DOI: 10.1371/journal.pone.0291892.
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