New Indole Diketopiperazine Alkaloids from Soft Coral-Associated Epiphytic Fungus Aspergillus versicolor CGF 9-1-2

被引:8
作者
Hu, Jin-Shan [1 ,2 ]
He, Yu-Pei [1 ]
Zhou, Feng-Guo [1 ]
Wu, Ping-Ping [1 ]
Chen, Le-Yi [1 ]
Ni, Cheng [1 ]
Zhang, Ze-Kun [1 ]
Xiao, Xi-Ji [1 ]
An, Lin-Kun [3 ]
He, Xi-Xin [1 ]
Zhang, Cui-Xian [1 ]
机构
[1] Guangzhou Univ Chinese Med, Sch Pharmaceut Sci, Guangzhou 510006, Peoples R China
[2] First Compulsory Isolated Detoxificat Ctr Shenzhen, Municipal Bur Justice, Shenzhen 518024, Peoples R China
[3] Sun Yat Sen Univ, Sch Pharmaceut Sci, Guangzhou 510006, Peoples R China
基金
中国国家自然科学基金;
关键词
A; versicolor CGF 9-1-2; IDAs; inhibitory effect; molecular docking; soft coral-associated epiphytic fungus; MARINE; BIOSYNTHESIS; TDP1;
D O I
10.1002/cbdv.202300301
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Two new indole diketopiperazine alkaloids (IDAs), (+)19-epi-sclerotiamide (1) and (-)19-epi-sclerotiamide (2), along with 13 known analogs (3-15), were isolated from a soft coral-associated epiphytic fungus Aspergillus versicolor CGF 9-1-2. The structures of two new compounds were established based on the combination of HR-ESI-MS, 1D and 2D NMR spectroscopy, optical rotation measurements and quantum chemical C-13-NMR, the absolute configurations were determined by experimental and electronic circular dichroism (ECD) calculations. The results of molecular docking showed that all the compounds had a good binding with TDP1, TDP2, TOP1, TOP2, Ache, NLRP3, EGFR, EGFR L858R, EGFR T790M and EGFR T790/L858. Biological evaluation of compounds 3, 6, 8, 11 showed that 3 exerted a strong inhibitory effect on TDP2 with a rate of 81.72 %.
引用
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页数:8
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