Nano-ZnO catalyzed microwave synthesis of novel α-aminophosphonates: anti-diabetic potential via molecular docking, ADMET analysis, and α-amylase and α-glucosidase inhibition studies

A more efficient and environmentally friendly approach has been developed for synthesizing aminophosphonates through the Kabachnik-Fields (K-F), catalyzed by nano-ZnO in a solvent-free environment, utilizing microwave irradiation.Before synthesis, each compound underwent in silico ADMET analysis and molecular docking to assess drug-like characteristics and their potential to inhibit -amylase.The structure of the newly synthesized compounds was validated using spectroscopic analysis, and their in vitro inhibitory effects on -amylase and -glucosidase were assessed.Among the compounds 8g (IC50, 99.20.5 g/mL), 8i (IC50, 101.20.3 g/mL), 8e (IC50, 102.10.4 g/mL) and 8j (IC50, 103.40.4 g/mL) containing anthracen-9-ylamino, phenanthren-9-ylamino, 2-oxo-2H-chromen-6-yl)amino and 2benzoylphenyl)amino moieties respectively, exhibited the highest inhibitory activity on -amylase, superior to the reference compound acarbose (IC50, 104.50.1 g/mL).The remaining compounds demonstrated moderate to good enzyme inhibition.8c bearing with 4-fluorophenyl substituent (IC50, 88.40.7 g/mL), 8e (IC50, 90.00.4g/mL) bearing with 2-oxo-2H-chromen-6-yl substituent and 8d (IC50, 91.10.9 g/mL) bearing with 2-methylbenzo[d]oxazol-5-yl moiety have shown the highest inhibitory activity on -glucosidase than the reference drug, Acarbose ((IC50, 93.10.8 g/mL).The remaining compounds exhibited moderate to good inhibition on the enzyme with IC50 ranging 94.50.9 to 141.40.7 g/mL.