Table 2.
Comp. No. | Name | PubChem ID |
Docking score against spike glycoprotein (kcal/mol) (PDB ID: 6M0J) |
Glide emodel (kcal/mol) |
---|---|---|---|---|
4 | Solanine | 262500 | −9.501 | −65.597 |
2 | Acetoside | 5281800 | −8.528 | −65.024 |
3 | Rutin | 5280805 | −7.911 | −63.472 |
52 | Epitheaflavin monogallate | 620853 | −7.524 | −70.219 |
14 | Procyanidin B2 | 122738 | −7.428 | −65.827 |
19 | Quercitrin | 5280459 | −7.152 | −60.829 |
45 | Theaflavin 3,3′-digallate | 135403795 | −7.027 | −82.725 |
11 | Procyanidin A1 | 5089889 | −6.836 | −66.553 |
9 | Procyanidin | 107876 | −6.768 | −61.772 |
5 | Procyanidin A4 | 53349182 | −6.690 | −70.376 |