Currently, available therapies for diabetes could not achieve normal sugar values in a high percentage of treated patients. In this research project, a series of 17 benzodioxole derivatives were evaluated as antidiabetic agents; that belong to three different groups were evaluated against lipase and alpha-amylase (α-amylase) enzymes. The results showed that 14 compounds have potent inhibitory activities against α-amylase with IC50 values below 10 µg/ml. Among these compounds, 4f was the most potent compound with an IC50 value of 1.11 µg/ml compared to the anti-glycemic agent acarbose (IC50 6.47 µg/ml). On the contrary, these compounds showed weak or negligible activities against lipase enzyme. However, compound 6a showed the best inhibitory anti-lipase activity with IC50 44.1 µg/ml. Moreover, all the synthesized compounds were undergone Molinspiration calculation, and the result showed that all compounds obeyed Lipinski’s rule of five. Molecular docking studies were performed to illustrate the binding interactions between the benzodioxole derivatives and α-amylase enzyme pocket. Related to the obtained results it was clear that the carboxylic acid, benzodioxole ring, halogen or methoxy substituted aryl are important for the anti-amylase activities. The potent inhibitory results of some of the synthesized compounds suggest that these molecules should go further in vivo evaluation. It also suggests the benzodioxole derivatives as lead compounds for developing new drug candidates.

中文翻译：

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苯并二恶醇衍生物的分子对接、化学信息学特性、α-淀粉酶和脂肪酶抑制研究

目前，糖尿病的可用疗法无法在高百分比的接受治疗的患者中达到正常的糖值。在该研究项目中，评估了一系列 17 种苯并二氧杂环戊烯衍生物作为抗糖尿病药物；针对脂肪酶和α-淀粉酶（α-淀粉酶）酶对属于三个不同组的那些进行了评估。结果表明，14 种化合物对 α-淀粉酶具有强效抑制活性，IC50 值低于 10 µg/ml。在这些化合物中，4f 是最有效的化合物，与抗血糖药物阿卡波糖 (IC50 6.47 µg/ml) 相比，其 IC50 值为 1.11 µg/ml。相反，这些化合物对脂肪酶的活性很弱或可以忽略不计。然而，化合物 6a 显示出最好的抑制性抗脂肪酶活性，IC50 为 44.1 µg/ml。而且，所有合成的化合物都进行了Molinspiration计算，结果表明所有化合物均符合Lipinski五定律。进行分子对接研究以说明苯并二氧杂环戊烯衍生物与 α-淀粉酶酶袋之间的结合相互作用。与所得结果相关，很明显羧酸、苯并二氧杂环戊烯环、卤素或甲氧基取代的芳基对于抗淀粉酶活性是重要的。一些合成化合物的有效抑制结果表明这些分子应该进一步进行体内评估。它还建议将苯并二氧杂环戊烯衍生物作为开发新候选药物的先导化合物。进行分子对接研究以说明苯并二氧杂环戊烯衍生物与 α-淀粉酶酶袋之间的结合相互作用。与所得结果相关，很明显羧酸、苯并二氧杂环戊烯环、卤素或甲氧基取代的芳基对于抗淀粉酶活性是重要的。一些合成化合物的有效抑制结果表明这些分子应该进一步进行体内评估。它还建议将苯并二氧杂环戊烯衍生物作为开发新候选药物的先导化合物。进行分子对接研究以说明苯并二氧杂环戊烯衍生物与 α-淀粉酶酶袋之间的结合相互作用。与所得结果相关，很明显羧酸、苯并二氧杂环戊烯环、卤素或甲氧基取代的芳基对于抗淀粉酶活性是重要的。一些合成化合物的有效抑制结果表明这些分子应该进一步进行体内评估。它还建议将苯并二氧杂环戊烯衍生物作为开发新候选药物的先导化合物。一些合成化合物的有效抑制结果表明这些分子应该进一步进行体内评估。它还建议将苯并二氧杂环戊烯衍生物作为开发新候选药物的先导化合物。一些合成化合物的有效抑制结果表明这些分子应该进一步进行体内评估。它还建议将苯并二氧杂环戊烯衍生物作为开发新候选药物的先导化合物。