Type 2 diabetes mellitus (T2DM) poses a significant public health challenge, affecting millions worldwide. Developing novel drugs to address the underlying causes of the disease is thus a research priority. However, the quest for novel potent alpha-glucosidase inhibitors (AGIs) persists to enhance treatment outcomes and minimize adverse effects. This study elucidates the inhibitory potential of a series of 1-deazapurines against the enzyme alpha-glucosidase. Molecular docking was employed to determine the affinity of these compounds for the active site of alpha-glucosidase using the Molecular Operating Environment (MOE) program. The stability of the top three ligands with the enzyme receptor was validated through dynamic simulation analysis. Promising pharmacokinetic characteristics and oral bioavailability of these compounds were revealed through ADMET and Drug-likeness predictions. Molecular docking results show that Methyl 6-(2-hydroxybenzoyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-5-carboxylate, 5-(furan-2-yl)-3-(4-methoxybenzyl)-2-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridine, and 3-[2-phenylethyl]-5-thiophen-2-yl-7-(trifluoromethyl)imidazo[4,5-b]pyridine possess the lowest respective energy scores of -6.1247 kcal/mol, -5.7030 kcal/mol, and -5.5403 kcal/mol. Furthermore, these compounds exhibit compliance with Lipinsky, Ghose, Muegge, Egan and Veber rules, indicating good gastrointestinal absorption and oral bioavailability. These results clearly demonstrate that these ligands could serve as potential precursors for developing drugs against Type 2 diabetes mellitus. thereby offering promising avenues for addressing the therapeutic challenges associated with diabetes and related metabolic disorders.