Bioactive Indolyl Diketopiperazines from the Marine Derived EndophyticAspergillusversicolorDY180635
Bioactive Indolyl Diketopiperazines from the Marine Derived EndophyticAspergillusversicolorDY180635
复制标题
来自海洋源性内生曲霉 DY180635 的生物活性吲哚基二酮哌嗪
DOI：
10.3390/md18070338
复制
发表时间：
2020-07-01
期刊：
影响因子：
5.4
通讯作者：
An, Faliang
中科院分区：
文献类型：
--
作者：
Ding, Yi;Zhu, Xiaojing;An, Faliang
从花蟹内生菌（Chiromantes haematocheir）的固体培养物中分离得到4个新的吲哚基哌嗪二酮化合物Aspamides A-E（1-4）和2个新的哌嗪二酮化合物Aspamides F-G（5-6），沿着11个已知的哌嗪二酮化合物及其中间体。进一步手性高效液相色谱拆分得到对映体（+）-和（-）-4。通过核磁共振（NMR）、高分辨质谱（HR-MS）和电子圆二色性（ECD）计算，确定了化合物1 - 6的结构和绝对构型。对分离得到的化合物进行了SARS冠状病毒2型（SARS-CoV-2）冠状病毒3-糜蛋白酶样蛋白酶（Mpro）的虚拟筛选，其中化合物1 -2、5、6、8和17的对接得分最高，进一步研究可能有助于对抗冠状病毒疾病-19（COVID-19）。
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.