Abstract

Two bioactive compounds caffeic and sinapic acid were isolated from the fruit of the Piper mullesua Buch–Ham ex D Don using bioassay guided approach. These compounds were isolated from water fraction using column chromatography followed by semi preparative HPLC. These compounds showed very potent anti-diabetic and antioxidant activities. The molecular docking was carried out to predict the mode of interaction of the isolated compounds with α-glucosidase. The in vitro α-glucosidase inhibitory activity of caffeic and sinapic acid was determined, and their IC₅₀ values were found 0.67 and 0.82 µg/ml, respectively. A QSAR equation was generated with an R² value of 84.81%, which is suitable enough for predicting the IC₅₀ values of test molecules. The aforementioned finding confirms the isolated compounds show very significant anti-diabetic potential which is supported by the molecular docking and QSAR study. So, it has ample scope for drug development with further in vivo and clinical study.

摘要

使用生物测定指导方法从Piper mullesua Buch–Ham ex D Don的果实中分离出两种生物活性化合物咖啡因和芥子酸。使用柱色谱和半制备HPLC从水馏分中分离这些化合物。这些化合物显示出非常有效的抗糖尿病和抗氧化活性。进行分子对接以预测分离的化合物与α-葡萄糖苷酶的相互作用模式。测定了咖啡酸和芥子酸的体外α-葡萄糖苷酶抑制活性，发现它们的IC 50值_分别为0.67 和0.82 µg/ml。生成了一个 QSAR 方程，其R ²值为 84.81%，足以预测 IC_{测试分子的50 个}值。上述发现证实了分离的化合物显示出非常显着的抗糖尿病潜力，这得到了分子对接和 QSAR 研究的支持。因此，通过进一步的体内和临床研究，它具有广阔的药物开发空间。