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Objective: Antioxidants are substances that can prevent or delay cell damage caused by free radicals, which are unstable molecules produced by the body, in response to the environment and other pressures. Molecular docking is used to predict and analyze the interactions between protein receptors and ligands. In this study, efforts have been made to identify natural products with antioxidant activity using Autodock PyRx 0.8.. Methods: Autodock PyRx 0.8 was used to prepare for docking and was also used to calculate the binding energy. Virtual analysis of the docking site was analyzed by PyRx, PyMol & Discovery studio 2020 clients. The structure of the superoxide dismutase (1CB4) was obtained from the protein data bank and the structure of the ligand was collected from the PubChem database. Results: All selected ligands (ligands 1, 3, 4, 5, 6) compared to the standard drug ascorbic acid satisfied Lipinski's rule of five and exhibited the highest binding affinity except ligand 2. The higher binding affinity and drug conductivity of all compounds suggest that it could be further explored as SOD promoters. Conclusion: We found that selected natural products could be potential antioxidants. |
