Unraveling the bioactive profile of finger millet wine: In-vitro hypoglycemic, anti-urease activities, and In-silico molecular docking approach

Abstract

There is no comprehensive chemical analysis of hypoglycemic and anti-urease properties, as well as computational studies of finger millet wine (FMW). Therefore, the current study aims to investigate its hypoglycemic and anti-urease properties along with its glucose utilisation and GLUT4 transport behaviour in Rat L6 myoblast cell line and its molecular docking studies. Results revealed that FMW inhibited α-glucosidase and urease enzyme with an IC₅₀ value of 8.45 and 67.67 µg/mL, respectively. Seven phenolic compounds: p-coumaric, trans-ferulic, caffeic, protocatechuic, sinapic, vanillic, and trans-cinnamic acid were identified by HPLC. HS-SPME/LLE-GC–MS identified major compounds 2,3-Butanediol (24.80/0.08 %), Ethyl hydrogen succinate (24.46/11.04 %), Caffeine (14.84/5.81 %), and Methyl 4-O-methyl-d-arabinopyranoside (4.23/2.09 %). Glucose utilization and GLUT4 translocation showed significant (p < 0.05) improvement at the concentration of 40 µg/mL. Molecular docking (MD) simulation and Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) studies revealed protocatechuic acid (-27.84 kcal/mol) had highest binding affinity. Additionally, we identified the hotspot residues Trp-376, Trp-481, Glu-521, Asp-404, Asp-649, and Asp-616. Thus, it can be summarised, finger millet-based wine shows potential hypoglycaemic activity backed up by glucose utilisation, docking studies have further supported the bioactive importance of this wine. This finding might open a scope for further optimization and further in-vivo research.