Dong Xin, Wu Jingshuai, Jia Hongli, Cen Shan, Cheng Wei, Lin Wenhan
State Key Laboratory of Natural and Biomimetic Drugs, Ningbo Institute of Marine Medicine, Peking University, Beijing 100191, P.R. China.
Key Laboratory of Antiviral Drug Research, Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, P.R. China.
ACS Omega. 2023 May 26;8(23):21254-21264. doi: 10.1021/acsomega.3c02429. eCollection 2023 Jun 13.
LC-MS/MS-based molecular networking annotation coupled H NMR detection allowed the depiction of the soft coral to produce a profile of dolabellane-type diterpenoids. Chromatographic separation of the EtOAc fraction resulted in the isolation of 12 undescribed dolabellane-type diterpenoids, namely, clavirolides J-U (-) Their structures were characterized by the extensive analysis of the spectroscopic data, including the calculated ECD and X-ray diffraction for the configurational assignments. Clavirolides J-K are characterized by a 1,11- and 5,9-fused tricyclic tetradecane scaffold fused with a α,β-unsaturated-δ-lactone, and clavirolide L possesses a 1,11- and 3,5-fused tricyclic tetradecane scaffold, which extend the dolabellane-type scaffolds. Clavirolides L and G showed significant inhibition against HIV-1 without RT enzyme inhibition, providing additional non-nucleosides with different mechanisms from efavirenz.
基于液相色谱-串联质谱的分子网络注释结合核磁共振氢谱检测，得以描绘出软珊瑚中多拉贝拉烷型二萜类化合物的图谱。乙酸乙酯萃取物的色谱分离得到了12种未描述过的多拉贝拉烷型二萜类化合物，即克拉维罗内酯J-U（-）。通过对光谱数据进行广泛分析，包括计算电子圆二色光谱（ECD）以及进行X射线衍射以确定构型，对它们的结构进行了表征。克拉维罗内酯J-K的特征是具有一个1,11-和5,9-稠合的三环十四烷骨架，并与一个α,β-不饱和-δ-内酯稠合，而克拉维罗内酯L具有一个1,11-和3,5-稠合的三环十四烷骨架，这些都扩展了多拉贝拉烷型骨架。克拉维罗内酯L和G对HIV-1表现出显著抑制作用，且不抑制逆转录酶，从而提供了与依非韦伦作用机制不同的新型非核苷类化合物。
