In-vitro and In-silico Assessment of the Antidiabetic and Antioxidant Potential of Urena lobata Leaf Fractions
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Abstract
Urena lobata (U. lobata), an ethnomedicinal plant, has long been utilized to treat diabetes, and animal studies have demonstrated its hypoglycemic activity. However, the mechanism underlying its anti-hyperglycemic effect and active compounds of herbs remains unclear. The study aim to investigate the antidiabetic and antioxidant potential of U. lobata leaf fractions using in vitro α-glucosidase inhibition and antioxidant assays, complemented by in silico molecular docking. Simplicia of Urena lobata leaves were extracted by the digestion method using methanol solvent. The extract was fractionated by n-hexane, ethyl acetate, n-butanol, and water, and designated as Fractions A, B, C and D, respectively. The α-glucosidase inhibition assay was conducted using p-nitrophenyl-α-D-glucopyranoside (p-NPG), and antioxidant potential was measured utilizing the DPPH (2,2-diphenyl-1-picrylhydrazyl) method. The most active fraction was analyzed via gas chromatography-mass spectrometry (GC-MS), and major phytoconstituents were docked in silico against α-glucosidase and aldose reductase using PyRx and Discovery Studio. Fraction C exhibited the strongest inhibitory activity against both α-glucosidase (IC50 = 66.87 ± 2.73 ppm) while Fraction B demonstrated stronger inhibitory activity against free radicals (IC50 = 50.68 ppm), compared to other fractions, though the fractions are lower than reference standards acarbose and ascorbic acid, respectively. Phytochemical analysis using GC-MS identified bioactive compounds, which were further confirmed by molecular docking. Pentatriacontane demonstrated optimal interactions with α-glucosidase (3TOP), and heneicosane showed optimal interactions with aldose reductase (1IEI). Urena lobata leaf extract and its phytoconstituents could be a promising source for novel antidiabetic and antioxidant agents.
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