The α-amylase is the main product of pancreas and is necessarily involved in the hydrolysis of carbohydrates into glucose so that it has been known to be a pioneer target for type 2 Diabetes mellitus (DM). Type 2 DM has no certain cure and the global increase in the cases of DM requires effective and extensive number of drug candidates. Drug discovery studies using organic biochemistry approaches are of important to describe novel compounds. This study aimed to reveal inhibitory potential of 13 novel compounds containing piperazine or benzimidazole moieties on α-amylase. The novel compounds were synthesized, structurally corroborated by various spectral analysis (FTIR, UV-Vis, ¹H NMR and ¹³C NMR) and screened for anti α-amylase activity. Among the synthesized derivatives, compound 14 was found to be the most potent inhibitor of α-amylase having IC₅₀ 64.8 ± 1.8 μM. Inhibition types and K_i values of the most effective molecules (14 and 10a with different moieties) were further investigated. Molecular docking studies were conducted to correlate the outcome of in vitro biochemical kinetic assays and therefore rationalize the binding interactions. In vitro cytotoxicity studies on pancreatic cancer (AR42J) cells were then performed for compound14, and the compound was found to be more effective compared to the positive control, acarbose. Prediction of in silico ADME properties of all tested molecules were determined.

α-淀粉酶是胰腺​​的主要产物，必须参与将碳水化合物水解成葡萄糖，因此它被认为是 2 型糖尿病 (DM) 的先驱靶点。2 型 DM 没有确定的治愈方法，全球 DM 病例的增加需要有效且大量的候选药物。使用有机生物化学方法的药物发现研究对于描述新化合物很重要。本研究旨在揭示 13 种含有哌嗪或苯并咪唑部分的新型化合物对 α-淀粉酶的抑制潜力。合成了新化合物，并通过各种光谱分析（FTIR、UV-Vis、¹ H NMR 和¹³C NMR）并筛选抗α-淀粉酶活性。在合成的衍生物中，发现化合物 14 是最有效的 α-淀粉酶抑制剂，IC ₅₀ 64.8 ± 1.8 μM。进一步研究了最有效分子（具有不同部分的 14 和 10a）的抑制类型和K _i值。进行分子对接研究以关联体外生化动力学测定的结果，从而使结合相互作用合理化。然后对化合物 14 进行胰腺癌 (AR42J) 细胞的体外细胞毒性研究，发现该化合物与阳性对照阿卡波糖相比更有效。确定了所有测试分子的计算机模拟 ADME 特性的预测。