Isolation, Virtual Screening, and Evaluation of Hazelnut-Derived Immunoactive Peptides for the Inhibition of SARS-CoV-2 Main Protease
Xiaoting Liu,
Shuo Sun,
Jiale Liu
et al.
Abstract:The aim of this study is to validate
the activity of
hazelnut (Corylus avellana
L.)-derived immunoactive
peptides inhibiting the main protease (Mpro) of SARS-CoV-2
and further unveil their interaction mechanism using in vitro assays, molecular dynamics (MD) simulations, and binding free energy
calculations. In general, the enzymatic hydrolysis components, especially
molecular weight < 3 kDa, possess good immune activity as measured
by the proliferation ability of mouse splenic lymphocytes and phagocytic
activi… Show more
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