Combined Use of Amentoflavone and Ledipasvir Could Interfere with Binding of Spike Glycoprotein of SARS-CoV-2 to ACE2: The Results of Molecular Docking Study
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this study we used molecular docking method to test 248 drugs related
to the virus research against spike glycoprotein of SARS-CoV-2. For
ten top-ranked drugs the binding sites and interactions with spike
glycoprotein were analyzed in detail. The
best-scored ligand is the natural biflavonoid amentoflavone. Nine of
twelve top-ranked ligands are drugs used for hepatitis C treatment.
Among them are ledipasvir, paritaprevir, elbasvir, simeprevir,
velpatasvir, glecaprevir and pibrentasvir. The
two first-ranked ligands (amentoflavone and ledipasvir) have
so their combined use may be effective, but the careful testing is
encourage other researchers
to explore the combination of amentoflavone and ledipasvir against
SARS-CoV-2 in vitro and in vivo.