Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, Hubei Province, People's Republic of China.
Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, Hubei Province, People's Republic of China.
Phytochemistry. 2022 Jan;193:112982. doi: 10.1016/j.phytochem.2021.112982. Epub 2021 Oct 23.
Eight undescribed cyathane diterpenoids, representative specialised metabolites of the genus Cyathus, named cyathins Q-X, along with five known congeners, were isolated from the liquid fermentation of Cyathus africanus. Their structures and absolute configurations were elucidated by integrating NMR spectroscopic analyses, electronic circular dichroism (ECD) calculations, and X-ray diffraction. Reasonable correction to the C-12 configuration of cyathin I was corroborated by the crystal data. The structural identification in this research expanded the number of candidates to allow for more bioactivity-screening options. Among them, (12S)-11α,14α-epoxy-13α,14β,15-trihydroxycyath-3-ene displayed significant acetylcholinesterase (AChE) inhibitory effect with an IC value of 4.60 ± 0.85 μM. Molecular docking studies were also performed to unravel the underlying modes of interactions with the active sites of AChE for active compounds.
从非洲杯冠茶（Cyathus africanus）的液体发酵物中分离得到了 8 种未描述的杯烷二萜类化合物，它们是杯烷属的代表性特殊代谢产物，被命名为 cyathins Q-X，以及 5 种已知的同系物。通过 NMR 光谱分析、电子圆二色性（ECD）计算和 X 射线衍射，解析了它们的结构和绝对构型。通过晶体数据合理修正了 cyathin I 的 C-12 构型。本研究中的结构鉴定扩展了候选物的数量，为更多的生物活性筛选提供了选择。其中，（12S）-11α,14α-环氧-13α,14β,15-三羟基杯-3-烯对乙酰胆碱酯酶（AChE）表现出显著的抑制作用，IC 值为 4.60 ± 0.85 μM。还进行了分子对接研究，以揭示活性化合物与 AChE 活性部位相互作用的潜在模式。
