Novel benzimidazole-based thiazole derivatives as a magic bullet for controlling diabetes mellitus based on synthetic and computational approaches

[Display omitted] Hyperglycemia, a condition in which blood sugar level rises by the action of α-amylase and α-glucosidase enzymes in hydrolysis of macromolecules (carbohydrates) into smaller units (glucose) results in diabetes mellitus. There is high demand for an effective inhibitor to overcome this global health issue. In this regard, we have synthesized benzimidazole derived thiazole based bis-Schiff base derivatives (1–14) and characterized structurally via spectroscopic analysis, such as 1H NMR, 13C NMR and HREI-MS. Anti-diabetic evaluation of these compounds was conducted in contrast to standard drug Acarbose (IC50 = 8.30 ± 0.20 µM, 9.30 ± 0.10 µM). In the series, analog 8 (IC50 = 3.50 ± 0.20 µM for α-amylase and 4.20 ± 0.20 µM for α-glucosidase) displayed immense potency than the standard drug. All the potent derivatives were further studied via molecular docking to investigate protein–ligand interaction (PLI). Moreover, ADME analysis was also performed for the exploration of the drug properties of the potent analogs which strengthen the drug profile of lead compounds.