Table 2.
The output results of the best conformations obtained from the molecular docking simulation between both acemannan and punicalagin against BAX (ID: G1SQZ2) and SOD (ID: P41975).
| Parameter | BAX (G1SQZ2) | |
|---|---|---|
| Acemannan | Punicalagin | |
| Score (Kcal/mol). | −10.627 | −7.540 |
| RMSD-refined | 3.080 | 4.723 |
| Hydrogen interactions | LIG H: GLU248 (O). LIG O: TYR204 (H). LIG O: SER 62 (H) LIG H: ARG 207 (O). |
LIG O: TYR250 (H). LIG H: CYS163 (O). |
| Parameter | SOD (ID: P41975) | |
|---|---|---|
| Acemannan | Punicalagin | |
| Score (Kcal/mol). | −10.544 | −7.663 |
| RMSD-refined | 3.795 | 2.467 |
| Hydrogen interactions | LIG O: SER62 (H). | LIG O: ARG207 (H). (LIG H:HIS 121) (benzene ring). |