Table 7.
Results of molecular docking experiments targeting anticancer protein uinine reductase (PDB: 3G5M) and aromatase (PDB: 3EQM)
| Molecule | H-bonds | Bound amino acid residues | Binding affinity (kcal/mol) |
|---|---|---|---|
 |
2 |
ASP-309, MET-374 |
-9.5 |
| Androstenedione (control inhibitor) | |||
 |
02 |
PHE-17, THR-147 |
-5.8 |
| 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin- 8(9 h)-one (Control inhibitor) | |||
 |
04 |
LEU-103, TYR-104, SER-107, GLY-149 |
-6.1 |
| Compound 1 | |||
 |
04 |
THR-148, TYR-155, SER-164 |
-6.7 |
| Compound 8 | |||
 |
06 |
PHE-106, THR-147, THR-148, TYR-155, SER-164 |
-7.3 |
| Compound 9 | |||
 |
03 | LEU-103, PHE-106, THR-147 | -7.7 |
| Compound 10 |