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. 2021 Jan 25;19:16. doi: 10.1186/s43141-021-00120-7

Table 4.

Binding energies of Ligands docked against Mpro, Plp, RdRp, helicase, and NendoU of SARS-Cov-2

S. No. Ligands Binding affinity (kcal/mol)
NSP5/MPro NSP3/PLp NSP12/RdRp NSP13/Helicase NSP15/NendoU
1. 4-O-(6-Galloylglucoside) −7.8 6.8 8.9 9.1 7.5
2. Epigallocatechin-gallate −7.7 −5.9 −8.5 −8.5 −6.9
3. 3-O-(6-Galloylglucoside) 8.4 6.6 − 8.4 − 9.0 − 6.8
4. Epicatechin-gallate − 8.4 − 6.1 − 8.3 − 8.4 − 7.2
5. 3-Glucogallic-acid − 6.7 − 5.6 − 7.1 − 7.9 − 7.0
6. Epicatechin − 7.1 −6.0 − 7.1 − 7.6 − 6.8
7. Epigallocatechin − 6.9 − 5.7 − 7.1 -7.3 − 6.7
8. 3-O-Methyl-gallic-acid −5.4 −4.8 − 6.2 − 6.1 − 5.2
9. Gallic-acid − 5.6 −4.6 − 5.9 − 5.9 −5.0
10. 3-O-Dodecanoyl(3-lauroylgallic-acid) −5.3 −4.5 −5.8 − 6.4 − 5.7
11. Lauryl-gallate − 5.4 −4.1 − 5.5 − 6.1 −5.5
12. Octyl gallate −5.8 −5.0 − 5.1 − 6.6 −5.7
13. 4-o-Methylgallic-acid −5.1 −4.6 −5.0 − 6.0 − 5.1
Control drugs
14. Dexamethasone −6.8 −6.4 7.5 − 8.0 − 7.1
15. Remdesivir 7.9 6.5 − 7.3 − 7.4 − 6.7
16. Hydroxychloroquine − 6.3 −5.0 −6.1 − 6.8 − 5.8