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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 of Aspergillus  versicolor , 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 compounds 1 - 6 were 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 compounds 1 - 2 , 5 , 6 , 8 and 17 were top among all screened molecules, may be helpful in fighting with Corona Virus Disease-19 (COVID-19) after further studies.

Bioactive Indolyl Diketopiperazines from the Marine Derived Endophytic Aspergillus versicolor DY180635