TABLE 1.

The top five poses of the interaction between 19 hydrolysable tannins with the catalytic dyad residues of 3CL^pro of SARS‐CoV‐2 and their docking properties

Hydrolysable tannins	Mol	S	E‐conf	E‐place	E‐score
Castalin		−14.04	156.57	−98.32	−15.69
Bicornin		−24.36	122.35	−82.19	−14.60
Grandinin		−21.86	220.85	−127.95	−16.66
Tercatain		−23.11	85.43	−133.94	−16.82
Granatin A		−15.38	187.54	−98.06	−13.28
Tellimagradin I		−29.53	81.89	−107.41	−13.83
Geraniin		−22.17	152.74	−93.78	−12.09
Casuarinin		−24.15	122.36	−61.90	−15.24
Strictinin		−23.96	98.31	−96.30	−16.82
Pedunculagin		−18.58	110.04	−70.23	−12.96
Punicalin		−18.01	81.58	−61.70	−14.78
Chebulagic acid		−22.35	132.94	−124.68	−13.74
Casuarictin		−24.88	112.87	−112.35	−16.09
ß‐Pedunculagin		−19.05	99.45	−116.44	−15.71
Potentillin		−17.40	124.16	−44.06	−17.23
Isoterchebin		−25.38	120.42	−139.58	−16.83
Roxbin B		−23.82	100.86	−97.63	−19.67
Repandusinic acid A		−24.15	−41.28	−167.41	−13.87
Terchebin		−29.06	119.45	−60.55	−13.21

Mol: An output pose, S: The final score, which is the score of the last stage that was not set to None, E‐conf: The energy of the conformer, E‐place: Score from the placement stage, E‐score: Score from the rescoring stage.