Indole Alkaloids from a Soil-Derived Clonostachys rosea.
Chun-Xiao JiangBo YuYa-Mei MiaoHao RenQianhe XuChun ZhaoLi-Li TianZhen-Qing YuPan-Pan ZhouXiaolei WangJian-Guo FangJiwen ZhangJin Zhong ZhangQuan-Xiang WuPublished in: Journal of natural products (2021)
Clonorosins A (1) and B (2), two novel indole alkaloids featuring unprecedented 6/5/6/6/5 and 6/5/5 cores, together with seven known indole-linked 2,5-diketopiperazine alkaloids (3-9), were isolated from the soil-derived fungus Clonostachys rosea YRS-06. The new structures were proposed through HR-MS, NMR, and ECD spectroscopic data. They were established by comparing the calculated NMR, ECD, and specific rotation data with the experimental. To assist in determining the absolute configuration of the chiral carbon in the side chain of 2,5-diketopiperazine derivatives, flexible analogues 3i-3iv were synthesized and analyzed. 1 was active against Fusarium oxysporum with an MIC value of 50 μg/mL. 7 and 8 showed excellent activity against human HeLa and HepG2 cells with IC50 values of 0.12-0.60 μM.
Keyphrases
- high resolution
- solid state
- magnetic resonance
- molecular docking
- electronic health record
- endothelial cells
- big data
- mass spectrometry
- multiple sclerosis
- structure activity relationship
- induced pluripotent stem cells
- machine learning
- plant growth
- data analysis
- artificial intelligence
- cell proliferation
- cell death
- molecular dynamics simulations