Table 1. Molecular docking scores of Genistein participating in hydrogen bonding and other interactions with NF-κB1protein.
Ligands/ Inhibitors | Binding energy (kcal/mol) | Ligand efficiency | Inhibition constant | No. of H bonds | Hydrophobic interaction forming residues | Average distance of H bonds (Å) |
Genistein | -6.29 | -0.31 | 24.52 µM | 4 (Lys52, Ser243, Asp274, Lys275) | Lys52 | 2.614 |