Table 3.
Affinity value of the main ligands with receptors.
Target proteins | Compounds | Binding Affinity (kcal/mol) | Interacting residues |
---|---|---|---|
EGFR | Quercetin | −7.7 | ASP-831, MET-769, THR-766, THR-830 |
Luteolin | −7.6 | GLN-767, GLU-738, LYS-721, MET-769, THR-766 | |
Wedelolactone | −7.8 | GLN-767, GLY-772, MET-769, THR-766 | |
TGFB1 | Quercetin | −6.9 | CYS-44, CYS-78, TYR-39 |
Luteolin | −6.8 | CYS-44, TYR-39 | |
Wedelolactone | −6.7 | TYR-39 |