What question did this study set out to answer?

This research aims to characterize highland buckwheat's phytochemical profile and assess its antidiabetic and enzyme inhibitory activities.

July 4, 2026

Bio‐Functional Characterization of Buckwheat: Phytochemical Fingerprinting, Antidiabetic, Anti‐Urease, and Molecular Dynamics Simulation Insights

Key Points

This research aims to characterize highland buckwheat's phytochemical profile and assess its antidiabetic and enzyme inhibitory activities.
Conducted proximate analysis and HRMS-based phytochemical fingerprinting of buckwheat seeds.
Performed in vitro enzyme assays to evaluate urease and α-glucosidase inhibition.
Utilized molecular dynamics simulations to study interaction stability of phenolics with enzymes.
Buckwheat extract showed significant urease inhibition (IC50: 5.79 ± 0.15 µg/mL) and α-glucosidase inhibition (IC50: 11.67 ± 0.10 µg/mL).
In L6 myotubes, the extract significantly increased glucose uptake and GLUT4 translocation at 40 µg/mL (p < 0.05).
Stable interactions between key phenolics and target enzymes were confirmed through molecular docking and MD simulations.

Abstract

ABSTRACT 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.

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