Bio‐Functional Characterization of Buckwheat: Phytochemical Fingerprinting, Antidiabetic, Anti‐Urease, and Molecular Dynamics Simulation Insights
Anurag Phukan, Moushumi Hazarika, Tupu Narzary, Nazim Uddin Afzal, Prasenjit Manna, Suman Koirala, Kapil Ursal, Parimal Kar, Debasish Baruah, K.B. Kayastha, Chandan TamulyABSTRACT
A highland buckwheat ( Fagopyrum esculentum ) was characterized by proximate analysis, HRMS‐based phytochemical fingerprinting, in vitro enzyme assays, molecular simulations, and muscle‐cell functional tests. The seed showed high protein (14.01%) and energy (4011 kcal·kg − 1 ) values, and HRMS revealed a polyphenol‐rich profile (including gallic acid, quercetin, kaempferol, and orientin). The methanol extract inhibited urease and α‐glucosidase with IC 50 values of 5.79 ± 0.15 µg/mL and 11.67 ± 0.10 µg/mL, respectively, while molecular docking and 100‐ns MD simulations supported stable interactions of key phenolics with both enzyme targets. In L6 myotubes, the extract produced a concentration‐dependent, significant ( p <0.05) increase in glucose uptake and GLUT4 translocation, with effects pronounced at 40 µg/mL. Overall, the seed combines high nutritional value with a polyphenol‐rich chemical profile and measurable in vitro bioactivities, notably enzyme inhibition and stimulation of glucose uptake that are consistent with potential bio‐functional effects.