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Molecular docking of the four dynamic metal models against superoxide dismutase enzyme.
| Metal Ligand | Score (kcal/mol) | Type of Interaction | Key Amino Acids |
|---|---|---|---|
|
Mn+2NPs
(Reference-agonist) |
−12.37 | Hydrophobic Pocket | His 30, His 78, Trp 131, Gln 149, Asp 163 and His 167 |
| Pd0NPs | −11.70 | Ligand exposure | Ile 207 |
| Pt+2NPs | −13.09 | Ligand exposure | Ile 207 |
| Pd0-Pt+2NPs | −10.26 | Hydrophobic Pocket | His 30, His 78, Trp 131, Gln 149, Asp 163 and His 167 |
