Discovery of nontriterpenoids from the rot roots of Panax notoginseng with cytotoxicity and their molecular docking study and experimental validation

doi:10.1039/d3ra00720k

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	Discovery of nontriterpenoids from the rot roots of Panax notoginseng with cytotoxicity and their molecular docking study and experimental validation
	Shang,Jia-Huan; Qiao,Yi-Jun; Zhu,Hong-Tao; Wang,Dong; Yang,Chong-Ren; Zhang,Ying-Jun
	2023
发表期刊	RSC ADVANCES
ISSN	2046-2069
卷号	13 期号:16 页码:11037-11043
摘要	Panax notoginseng (PN) is a well-known traditional Chinese medicine, with dammarane-type triterpenoid saponins characterized as major component and active ingredients, together with amino acids, flavonoids, polysaccharides, and polyacetylenes. The roots of PN are susceptible to root rot disease, which causes a huge loss and changes in the chemical components of this precious resource. In this study, sub-fractions of rot PN root extracts were preliminarily found to have admirable cytotoxicity on two human cancer cells. Further bioassay-guided isolation discovered nine new non-triterpenoids, including two novel N-methylacetamido-1-oxotetrahydropyrimidine alkaloids (1, 2), five 2H-furanones or 2H-pyranones (3-7), and two polyacetylenic alcohols (8, 9). Their structures were illuminated by extensive spectroscopic data, calculated ECD, and X-ray diffraction analysis. Among them, 3-7 were considered to be transformed from panaxatriol through the intermediates (8, 9). The new alkaloids (1, 2) displayed noteworthy cytotoxicity against five human cancer cells with IC50 values ranging from 14 to 24 mu M. In silico target prediction and molecular docking studies showed that 1 and 2 may interact with EGFR, and were verified by the experimental inhibitory effect on EGFR tyrosine kinase.
关键词	THERAPY
学科领域	Chemistry
DOI	10.1039/d3ra00720k
WOS记录号	WOS:000964730700001
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/74882
专题	中国科学院昆明植物研究所
推荐引用方式 GB/T 7714	Shang,Jia-Huan,Qiao,Yi-Jun,Zhu,Hong-Tao,et al. Discovery of nontriterpenoids from the rot roots of Panax notoginseng with cytotoxicity and their molecular docking study and experimental validation[J]. RSC ADVANCES,2023,13(16):11037-11043.
APA	Shang,Jia-Huan,Qiao,Yi-Jun,Zhu,Hong-Tao,Wang,Dong,Yang,Chong-Ren,&Zhang,Ying-Jun.(2023).Discovery of nontriterpenoids from the rot roots of Panax notoginseng with cytotoxicity and their molecular docking study and experimental validation.RSC ADVANCES,13(16),11037-11043.
MLA	Shang,Jia-Huan,et al."Discovery of nontriterpenoids from the rot roots of Panax notoginseng with cytotoxicity and their molecular docking study and experimental validation".RSC ADVANCES 13.16(2023):11037-11043.

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