Table 2 Docking binding energies of core target molecules.
Symbol | ID | Molecule Name | Affinity(kcal/mol) | Hydrogen bonds |
|---|---|---|---|---|
ATF3 | AF-Q9XZS8-F1-v4 | Retinoic acid | −4.8 | 1 |
ATF3 | AF-Q9XZS8-F1-v4 | Proadifen | −3.8 | 1 |
GRIN2B | 5EWJ | Retinoic acid | −7.7 | 1 |
GRIN2B | 5EWJ | DL-Glutamic acid | −5.3 | 5 |
GSTM3 | 3GTU | Retinoic acid | −7.3 | 2 |
GSTM3 | 3GTU | L-methionine | −4.4 | 4 |