Tóm tắt:

A molecular docking study of three natural acridones, namely citrusinine-I, 5-hydroxynoracronycin, and paratrimerin C on a target enzyme DNA polymerase μ (Pol μ), was performed. In addition, the hydrogen peroxide anion (HOO─), a model radical, and delavirdine, a synthetic drug, are used as ligands for docking on this target protein to investigate the activity of the selected compounds to protect Pol μ protein against their harmful effects. The interaction sites and binding energies (Gbind) were determined. The results reveal that 5-hydroxynoracronycin (Gbind: -5.82 kcal/mol) exhibits a higher binding activity to Pol μ protein than the other acridones and HOO─ as well as delavirdine. These acridone compounds illustrated the beneficial effect of protecting Pol μ against harmful HOO─ species and commonlyused delavirdine drugs.