New ent-kaurane diterpenes from the roasted arabica coffee beans and molecular docking to alpha-glucosidase

doi:10.1016/j.foodchem.2020.128823

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	New ent-kaurane diterpenes from the roasted arabica coffee beans and molecular docking to alpha-glucosidase
	Hu,GuiLin ; Peng,XingRong ; Dong,Ding ; Nian,Yin; Gao,Ya ; Wang,XiaoYuan ; Hong,DeFu ; Qiu,MingHua
	2021
发表期刊	FOOD CHEMISTRY
ISSN	0308-8146
卷号	345 页码:128823
摘要	Ten new (1-10) and five known (11-15) ent-kaurane diterpene derivatives were identified from the roasted beans of coffea arabica. Their structures were established by extensive spectroscopic analysis including 1D, 2D NMR (HSQC, HMBC, COSY, and ROESY), HRESIMS, and X-ray diffraction analysis. Compounds 1-3 were three types of rearranged ent-kaurane diterpenes, and compounds 4 and 5 were diterpene esters with a rare 6-hydroxyhexanoyl at C-17. Compounds 6, 8, 14, and 15 showed moderate inhibitory effect on alpha-glucosidase with IC50 values of 149.92 +/- 2.52, 23.23 +/- 1.03, 54.58 +/- 4.21, 54.16 +/- 3.95 mu M, respectively, compared to the positive control (60.71 +/- 16.45 mu M). The results of activity assay showed that diterpenes with the double bond between C-15 and C-16 exhibited stronger alpha-glucosidase inhibitory activity. Further molecular docking experiments were adopted to discuss the mechanism of activity.
关键词	Coffea arabica Ent-kaurane diterpene alpha-Glucosidase Molecular docking
DOI	10.1016/j.foodchem.2020.128823
WOS记录号	WOS:000619234800009
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/73346
专题	中国科学院昆明植物研究所
作者单位	1.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming 650201, Yunnan, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Kunming Inst Zool, Key Lab Anim Models & Human Dis Mech, Kunming 650223, Yunnan, Peoples R China 4.Chinese Acad Sci, Kunming Inst Zool, Ion Channel Res & Drug Dev Ctr, Kunming 650223, Yunnan, Peoples R China
推荐引用方式 GB/T 7714	Hu,GuiLin,Peng,XingRong,Dong,Ding,et al. New ent-kaurane diterpenes from the roasted arabica coffee beans and molecular docking to alpha-glucosidase[J]. FOOD CHEMISTRY,2021,345:128823.
APA	Hu,GuiLin.,Peng,XingRong.,Dong,Ding.,Nian,Yin.,Gao,Ya.,...&Qiu,MingHua.(2021).New ent-kaurane diterpenes from the roasted arabica coffee beans and molecular docking to alpha-glucosidase.FOOD CHEMISTRY,345,128823.
MLA	Hu,GuiLin,et al."New ent-kaurane diterpenes from the roasted arabica coffee beans and molecular docking to alpha-glucosidase".FOOD CHEMISTRY 345(2021):128823.

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