Table 3.
The results of a molecular docking simulation of amantadine to BSA.
| Mode | Affinity (kcal/mol) | RMSD (lower bond) | RMSD (upper bond) | Amino acid residues |
|---|---|---|---|---|
| 1 | −6.4 | 0.000 | 0.000 | |
| 2 | −6.4 | 0.023 | 2.271 | |
| 3 | −6.4 | 0.130 | 2.297 | |
| 4 | −6.4 | 1.455 | 2.999 | |
| 5 | −5.6 | 33.261 | 34.494 | TYR-160 |
| 6 | −5.6 | 33.245 | 34.455 | TYR-160 |
| 7 | −5.6 | 33.257 | 34.513 | |
| 8 | −5.6 | 33.528 | 34.787 | LEU-115 |
| 9 | −5.6 | 33.514 | 34.765 | LEU-115 |
Note: LEU: leucine; RMSD: root-mean-square deviations of atomic positions; TYR: tyrosine.