Table 2. Summary of the Molecular Docking Studies of the Silybin Diastereomers against HEWL.
name of the compound | binding energy (kcal/mol) | inhibition constant (kI) (μM) | intermolecular energy (kcal/mol) | reference RMSD |
---|---|---|---|---|
SA | –7.1 | 6.28 | –9.78 | 36.02 |
SB | –8.69 | 0.426 | –11.38 | 34.69 |