. 2021 Dec 8;26(24):7438. doi: 10.3390/molecules26247438

Table 1.

The estimated binding energies of the top three polyphenols and the control compounds.

Compound	Binding Energy (kcal/mol)
Cyanidin 3-O-rutinoside	−107.68
Petunidin 3,5-O-diglucoside	−99.18
Delphinidin 3-O-rutinoside	−90.70
Remdesivir-TP ¹	−55.00
TF3 ²	−77.89
Swertiapuniside ³	−39.42
ATP ⁴	−57.83

¹ The original ligand in 7BV2 and the best-scored potential drug identified by our previous study [46]. ² The best-scored potential drug identified by a previous study [27]. ³ The best-scored potential drug identified by a previous study [47]. ⁴ The substrate of RNA synthesis.