Table 1 Binding energy results from molecular docking
Target | Molecule | Types of Bonds | Residues | Binding Energy (kcal/mol) |
|---|---|---|---|---|
STAT3 | ZINC03978781 | Hydrogen Bond | LYS-142 | -8.5 |
Hydrophobic Interaction | LEU-147, MET-99, ALA-43, ILE-22, VAL-30, TYR-27 | |||
TNF | 4,5'-Retro-.beta.,.beta.-Carotene -3,3'-dione, 4',5'-didehydro- | Hydrophobic Interaction | THR-72, PRO-70, GLN-67, ALA-145, PHE-144 | -7.6 |
AKT1 | 7-epi-Vogeloside | Hydrogen Bond | GLU-17, TYR-18, ILE-19, ARG-23, LYS-14, ASN-53, ASN-54, GLN-79, ARG-86 | -6.4 |
Hydrophobic Interaction | TYR-18 | |||
Charge Center | ARG-86, LYS-14, ARG-23 |