In Vitro and In Silico Investigation of the Interaction Between Vitamin D and α-Amylase: Insights into Their Potential Antidiabetic Synergy.

Abstract

This study aimed to investigate the synergistic effect between vitamin D and Centaurium erythraea extract as a promising natural strategy for reducing insulin resistance and its associated metabolic disorders through a combined In Vitro and In Silico approach. Particular emphasis was placed on evaluating the ability of this combination to modulate oxidative stress, inflammation, and glycation, which are considered major contributors to the development of insulin resistance and its complications.The study included the evaluation of antidiabetic activity through α-amylase inhibition assay, in addition to antioxidant, anti-inflammatory, antibacterial, BSA interaction, and anti-gastric ulcer activities. The obtained results revealed low IC50 values, particularly for the combination, reflecting higher biological activity compared to the individual compounds and confirming a clear synergistic effect between vitamin D and the plant extract. The BSA interaction assay also demonstrated a significant protective effect against protein oxidation and structural alterations associated with inflammation and glycation.In parallel with the experimental findings, molecular docking studies revealed low and negative ΔG values, indicating stable molecular complexes and high binding affinity toward the targeted proteins, especially for the combination. Furthermore, Swiss ADME and Pro Tox-II analyses demonstrated suitable pharmacokinetic and physicochemical properties with relatively low toxicity, supporting the therapeutic potential of this combination.Overall, the findings of this study suggest that the combination of vitamin D and Centaurium erythraea extract represents a promising natural approach that may contribute to reducing insulin resistance and improving metabolic balance through its antioxidant, antiinflammatory, anti-glycation, and cytoprotective effects.