农业科学与食品研究杂志
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Phytochemical Profiling and Molecular Docking Investigation of Avocado (Persea americana mill. Cultivar Hass) Leaves and Seeds: Implications for Antioxidant Activity and Health Benefits

Olufemi Temitope Ademoyegun, Rabiat Shola Ahmed, David Olamide Raphael, Balikis Oluwakemi Mustapha, Shina Salau

Despite the rising interest in avocado leaves and seeds health benefits, little or no research has been conducted on both their phytochemical profiles in conjunction with molecular docking investigations, particularly in relation to its antioxidant activity. Utilizing phytochemical screening molecular docking and Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) research. This study investigates the antioxidant properties of Avocado Leaves (AVL) and Avocado Seeds (AVS). Results show that AVS has a high presence of flavonoids (+++), terpenoids (+++), but a low presence of phenols (+), while AVL has a high presence of tannins (+++) and phenols (++). Molecular docking studies validate two AVL (L0₁ and L0₂) and two AVS (S0₂ and S0₃) compounds based on binding affinity and interactions with 2 Retrograde Urethrogram (RGU).pdb, 3 Multinodular Goiter (MNG).pdb and 2 Vessel Wall Imaging (VWI).pdb protein targets. ADMET studies indicate that AVL and AVS extracts have favorable bioavailability and health safety characteristics.