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. 2021 Jan 19;7:599079. doi: 10.3389/fmolb.2020.599079

Table 2.

Chemical structures and docking results of phytoconstituents on spike receptor-binding domain of SARS CoV-2 bound to the ACE2.

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