Knowledge Management System of Kunming Institute of Botany,CAS
| 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 | |
| Source Publication | FOOD CHEMISTRY
 |
| ISSN | 0308-8146 |
| Volume | 345Pages:128823 |
| Abstract | 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. |
| Keyword | Coffea arabica Ent-kaurane diterpene alpha-Glucosidase Molecular docking |
| DOI | 10.1016/j.foodchem.2020.128823 |
| WOS ID | WOS:000619234800009 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.kib.ac.cn/handle/151853/73346 |
| Collection | 中国科学院昆明植物研究所 |
| Affiliation | 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 |
| Recommended Citation 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. |
| Files in This Item: | Download All | |||||
| File Name/Size | DocType | Version | Access | License | ||
| 014-B03-169-胡-FC.pdf（3995KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment