Fig. 7

The predicted molecular docking mode of dieckol in the catalytic sites of Mpro crystal structure. a A molecular docking model between dieckol and the catalytic sites of Mpro. The blue sticks represent the functional amino acids interacting with dieckol, which are exhibited by a stick model. b A detailed illustration for dieckol binding to the catalytic sites of Mpro. The residues of Cys145 and Gly143 formed strong hydrogen-bond interactions highlighted by the green dashed lines with the hydroxyl group and the oxygen atom of dieckol, respectively. A purple dashed line indicated a Pi-Pi interaction between His41 and benzene ring of dieckol