关键词: Garcinia pedunculata molecular docking α-glucosidase

Mesh : Garcinia / chemistry Glycoside Hydrolase Inhibitors / pharmacology chemistry isolation & purification Fruit / chemistry Molecular Docking Simulation alpha-Glucosidases / metabolism Molecular Structure Structure-Activity Relationship Depsides / chemistry isolation & purification pharmacology Benzofurans / chemistry isolation & purification pharmacology

来  源:   DOI:10.1002/cbdv.202400409

Abstract:
From Garcinia pedunculata Roxb. fruits, two undescribed aromatic compounds including a benzofuran and a depsidone derivative, and a new natural product, together with four known compounds were isolated. Through the analysis of spectroscopic data, high resolution mass spectrum and calculated nuclear magnetic resonance, their structures were determined. The α-glucosidase inhibitory activity of the isolates was evaluated. And compound 3 exhibited a moderate inhibitory effect on α-glucosidase. The molecular docking of compound 3 was performed to elucidate the interaction with α-glucosidase.
摘要:
从藤黄。水果,两种未描述的芳香族化合物,包括苯并呋喃和depsidone衍生物,和一种新的天然产品,与四个已知的化合物一起被分离。通过对光谱数据的分析,高分辨率质谱和计算的核磁共振,他们的结构被确定。评价分离物的α-葡萄糖苷酶抑制活性。化合物3对α-葡萄糖苷酶有中等抑制作用。进行化合物3的分子对接以阐明与α-葡糖苷酶的相互作用。
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