Table 2.
Molecular docking simulation results: mean binding affinities (kcal/mol) and the important interactions.
| Compound | Binding affinity | Important interaction | RMSD |
|---|---|---|---|
| AFB1 | -6.50 | LYS 883 | 1.3 |
| AFB2 | -6.74 | LYS 883 | 0.9 |
| AFM1 | -6.53 | SER703,ASP 690, HIS 689 | 1.4 |
| AFM2 | -7.66 | SER702,ALA698,SER703,GLN693 | 1.2 |
| AFG1 | -6.84 | SER 782, | 2.9 |
| AFG2 | -6.66 | GLN 783, SER 782, LYS 883 | 2.4 |
| AOH | -7.17 | MET 780, ASN 705, MET 742, GLY 708, GLN 711, MET 745 | 0.5 |
| AMME | -6.60 | GLY708, MET745, MET742 | 1.1 |
| EMO | -7.40 | ALA699,HIS689,GLN693 SER703, GLY688, ALA687, GLU706 | 0.5 |
| ZEA | -5.7 | SER703,ASP690, HIS689, SER702, ASP890 | 2.3 |
| TeA | -5.58 | LEU 704 | 0.3 |