摘要 : Aim: To enrich the pool of a-amylase inhibitors to manage Type 2 diabetes. Methods: Synthesis, conformational study, a-amylase inhibitory action and various in silico studies of novel N'(arylbenzylidene)-2-(4,9-dioxo-4,9-dihydro-1... 展开 Aim: To enrich the pool of a-amylase inhibitors to manage Type 2 diabetes. Methods: Synthesis, conformational study, a-amylase inhibitory action and various in silico studies of novel N'(arylbenzylidene)-2-(4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-1-yl)acetohydrazides carried out. Results: Compound H6 demonstrated the highest activity (IC50 = 0.0437 mu mol mL(-1)) among the tested compounds. Structure-activity relationship study suggested that variable substitution at the aryl ring has a pivotal role in determining the inhibitory action of tested compounds. Docking simulations of the most active compound (H6) confirmed its interaction potential with active site residues of A. oryzae a-amylase. The root-mean-square deviation fluctuations substantiated the stability of protein-ligand complex. Absorption, distribution, metabolism and excretion prediction revealed optimal values for absorption, distribution, metabolism and excretion parameters. Conclusion: The developed molecules could be beneficial for the development of novel a-amylase inhibitors to treat Type 2 diabetes. 收起