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![[Figure 2]](ud5057fig2mag.jpg)
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Figure 2
In silico assessment of the binding affinities of myricetin moieties to SARS-CoV-2 NSP13. The binding affinities of myricetin (yellow), its pyrogallol moiety (green) and its trihydroxychromone moiety (red) were computationally evaluated against SARS-CoV-2 NSP13 using the Gnina docking tool, with both the Vina and Vinardo scoring functions. Binding affinities (kcal mol−1) were calculated based on the positions of each moiety within the myricetin binding site. The pyrogallol moiety consistently exhibited stronger binding affinities compared with the trihydroxychromone moiety, highlighting its significant contribution to the interaction of myricetin with NSP13. |
![[Figure 2]](ud5057fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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