Antioxidant and Molecular Docking of Morinda citrifolia Leaves Extract as an Alternative Infertility Treatment

Antioxidant Extraction Gas Chromatography-Mass Spectroscopy Molecular Docking Morinda citrifolia

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The male reproductive system shows heightened sensitivity to oxidative stress from reactive oxygen species. However, the effects of free radical exposure can be mitigated by antioxidant compounds. This investigation sought to characterize the active compounds from secondary metabolites that contribute to the activity of Morinda citrifolia leaves. This study began by extracting M. citrifolia leaves using n-hexane, ethyl acetate, and methanol solvents. Following extraction, the samples underwent phytochemical profiling and GC-MS analysis to determine the active compounds in the M. citrifolia leaf extract. The DPPH method was employed for testing antioxidant activity and analyzed using ultraviolet-visible (UV-VIS) spectrophotometry. Molecular docking analysis was carried out on five major compounds from the M. citrifolia leaf extract against three selected proteins: the FSH (PDB ID: 1XWD), testosterone (PDB ID: 1I9J), and androgen (PDB ID: 1E3G) receptors. The analytical results demonstrated that the polar extract (methanol) of M. citrifolia leaf exhibited the highest antioxidant activity, indicated by a lower IC50 (13.1), than those found in the n-hexane and ethyl acetate extracts. The active compounds contributing to this activity were squalene (n-hexane), phytol (ethyl acetate), and 4H-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl (methanol). Docking results showed that the ethyl acetate extract exhibited higher binding affinity through tocopherol and stigmasterol compounds than the n-hexane extract. These findings collectively demonstrate that M. citrifolia leaves demonstrate significant antioxidant activity across all levels and potential as agents against infertility due to their high binding affinities to the target receptors.