Figure 6
Docking results for rosmarinic acid and chlorogenic acid within the binding site of SARS-CoV-2 NSP13. Rosmarinic acid (a) and chlorogenic acid (b) are shown in ball-and-stick format in pink and violet, respectively, with NSP13 in cartoon representation coloured as in Fig. 1 . Interacting residues are depicted as sticks and labelled, indicating hydrogen bonds (red dashed lines), carbon–π interactions (white dashed lines), cation–π interaction (green dashed lines) and donor–π interactions (blue dashed lines). Myricetin and fragments are displayed transparently in the same colours as in Figs. 1 and 2 . |