INVITRO AND INSILICO ANTIOXIDANT ANALYSIS OF HUNTERIA UMBELLATE SEEDS EXTRACTS

Medicinal plants are important sources of bioactive compounds with therapeutic potential, particularly as antioxidants. This study evaluated the in silico and in vitro antioxidant properties of Hunteria umbellata seed extracts, prepared with methanol and coconut water as solvents. Qualitative screening revealed saponins, tannins, phenols, flavonoids, and steroids in both extracts, with reducing sugars and cardiac glycosides detected only in the methanol extract, while terpenoids were exclusive to the coconut water extract. Quantitative analysis showed higher levels of phenols (29.505 mg/g) and flavonoids (22.93 mg/g) in the methanol extract, confirming its effectiveness as a polar solvent. The in vitro antioxidant assays demonstrated solvent-dependent activity. The methanol extract exhibited stronger ferric-reducing and DPPH radical scavenging capacity (73.91% and 55.26% inhibition at 20 mg/g; IC₅₀ = 81.86 and 66.76 mg/g, respectively). In contrast, the coconut water extract showed greater inhibition in ABTS (68.61% at 20 mg/g, IC₅₀ = 139.13 mg/g) and nitric oxide assays (63.70% at 20 mg/g, IC₅₀ = 89.46 mg/g), likely due to its terpenoid content. In silico molecular docking further supported these findings, with major phytochemicals such as flavonoids and phenolics showing strong binding affinities to antioxidant enzymes (–7.8 to –9.6 kcal/mol). ADMET analysis predicted good oral absorption, favorable bioavailability, and non-toxic properties, suggesting pharmacological safety. Overall, solvent polarity significantly influenced phytochemical yield and antioxidant performance. The combined in vitro assays and in silico validations highlight H. umbellata seeds as promising natural antioxidants with potential application in managing oxidative stress–related disorders. Keywords: Hunteria umbellata, antioxidants, in vitro, in silico, ADMET, phytochemicals