Department of Chemistry, Ho Chi Minh City University of Education, Ho Chi Minh City, Vietnam.
Department of Chemical Technology, Ho Chi Minh City University of Technology and Education, Ho Chi Minh City, Vietnam.
Nat Prod Res. 2023 Apr;37(8):1241-1248. doi: 10.1080/14786419.2021.2000412. Epub 2021 Nov 5.
Phytochemical investigation of the trunks of yielded two new kaurane diterpene diastereomers, which have been named coffecanepholide A, 3,16,17-trihydroxykauran-18-al () and coffecanepholide B, -3,16,17-trihydroxykauran-19-al (). Structural elucidation and configurational assignment were deduced from extensive spectroscopic NMR/HRESIMS analysis and by comparison with the spectral data of the literature relevant structures. The isolated compounds were assayed for inhibitory activities against -glucosidase. Structure showed the -glucosidase inhibitory activity with an IC value of 294.7 ± 0.9 μM, while compound exhibited inactivity. In addition, the docking results revealed that structure can form more interactions with amino acid residues at the active site of -glucosidase, which gave a more negative binding energy (-9.56 kcal/mol) compared with (-8.60 kcal/mol). This observation might be responsible for a better activity of against -glucosidase.
从树干中分离得到两种新的贝壳杉烷二萜对映异构体，分别命名为咖啡卡酚内酯 A，3,16,17-三羟基贝壳杉-18-醇（）和咖啡卡酚内酯 B，-3,16,17-三羟基贝壳杉-19-醇（）。结构阐明和构型分配是通过广泛的光谱 NMR/HRESIMS 分析以及与文献中相关结构的光谱数据比较得出的。对分离得到的化合物进行了对 -葡萄糖苷酶抑制活性的测定。化合物结构显示出对 -葡萄糖苷酶的抑制活性，IC 值为 294.7±0.9μM，而化合物则表现出无活性。此外，对接结果表明，化合物结构可以与 -葡萄糖苷酶活性位点的氨基酸残基形成更多的相互作用，其结合能（-9.56kcal/mol）比化合物（-8.60kcal/mol）更负。这种观察可能是化合物结构对 -葡萄糖苷酶具有更好活性的原因。
