An in vitro and in silico study of the antioxidant and antidiabetic activities of Nauclea latifolia fruit

The current study assessed the antioxidant and antidiabetic properties of Nauclea latifolia fruit in vitro and in silico. The aqueous infusion of the fruit was analysed for its in vitro antioxidant capacity using ferric-reducing antioxidant power (FRAP), nitric oxide (NO), and 2,2'-diphenyl-2-picrylhydrazyl (DPPH) radicals scavenging activities. Its inhibitory effects on carbohydrate digestive enzymes was also determined. The phytoconstituents of the fruit were docked with carbohydrate digestive enzymes (α-amylase and α-glucosidase), and the compounds were further evaluated for ADME parameters. The total phenolic content of N. Latifolia was 44.56 ± 0.78 mg g^-1 GAE. N. latifolia aqueous extract exhibited remarkable ferric reducing power (IC₅₀ value of 5.58 µg/mL) when compared to the control Trolox (IC₅₀ value of 6.42 μg/mL). The extract displayed definite capability in inhibiting nitric oxide production than its radical scavenging effect on DPPH with IC₅₀ values of 5.04 and 9.10 μg/mL, respectively. Aqueous extract further exhibited comparable inhibitory activity of the carbohydrate digestive enzymes compared to the standard drug, Acarbose. Moreover, the extract significantly increased glucose uptake in yeast in a dose-dependent manner. N. latifolia fruit aqueous extact's compound profiling with GCMS revealed several phenolic compounds with 2-mercaptophenol, exhibiting the highest in abundance. In silico study revealed that compounds 7,8-dihydroxy-4-methylcoumarin and 4‑methoxy-2‑pent-3-en-2-ylphenol, showed higher binding affinity against α-amylase (-28.8651 kcal/mol), and α-glycosidase (-31.0689 kcal/mol), respectively. Furthermore, the ADME properties of the compounds revealed oral bioavailability, pharmacokinetics, and toxicity properties. These results suggest the possible antioxidant and antidiabetic potential N. Latifolia.