文献类型：期刊文献

英文题名：Bioactive Indolyl Diketopiperazines from the Marine Derived EndophyticAspergillusversicolorDY180635

作者：Ding, Yi[1];Zhu, Xiaojing[1];Hao, Liling[1];Zhao, Mengyao[1];Hua, Qiang[1];An, Faliang[1]

机构：[1]East China Univ Sci & Technol, State Key Lab Bioreactor Engn, 130 Mei Long Rd, Shanghai 200237, Peoples R China

年份：2020

卷号：18

期号：7

外文期刊名：MARINE DRUGS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000557150200001)】；

基金：This work was funded by the National Key R&D Program of China (2018YFC1706200, 2019YFC0312504), and the National Natural Science Foundation of China (41876189, 81703388). This work was also supported by State Key Laboratory of Bioreactor Engineering. Authors thank Prof. Lixin Zhang (State Key Laboratory of Bioreactor Engineering, East China University of Science and Technology) for assistance in the virtual screening on the Mpro of SARS-CoV-2.

语种：英文

外文关键词：endophyte fungus; Aspergillus versicolor; diketopiperazines; ECD calculation; enantiomers

摘要：Four new indolyl diketopiperazines, aspamides A-E (1-4) and two new diketopiperazines, aspamides F-G (5-6), along with 11 known diketopiperazines and intermediates were isolated from the solid culture ofAspergillusversicolor, which is an endophyte with the sea crab (Chiromantes haematocheir). Further chiral high-performance liquid chromatography resolution gave enantiomers (+)- and (-)-4, respectively. The structures and absolute configurations of compounds1-6were determined by the comprehensive analyses of nuclear magnetic resonance (NMR), high-resolution mass spectrometry (HR-MS), and electronic circular dichroism (ECD) calculation. All isolated compounds were selected for the virtual screening on the coronavirus 3-chymoretpsin-like protease (Mpro) of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), and the docking scores of compounds1-2,5,6,8and17were top among all screened molecules, may be helpful in fighting with Corona Virus Disease-19 (COVID-19) after further studies.