Structurally diverse diterpenoid alkaloids from the lateral roots of Aconitum carmichaelii Debx. and their anti-tumor activities based on in vitro systematic evaluation and network pharmacology analysis

doi:10.1039/d1ra04223h

	Structurally diverse diterpenoid alkaloids from the lateral roots of Aconitum carmichaelii Debx. and their anti-tumor activities based on in vitro systematic evaluation and network pharmacology analysis
	Yu, Yang 2,3; Wu, Shifei 2; Zhang, Jianqing 2; Li, Jiayuan 2; Yao, Changliang 2; Wu, Wenyong 1,2; Wang, Yingying 1,2; Ji, Hongjian 1,2; Wei, Wenlong 2; Gao, Min 2,3
刊名	RSC ADVANCES
	2021-08-16
卷号	11 期号:43 页码:26594-26606
DOI	10.1039/d1ra04223h
通讯作者	Guo, De-an(daguo@simm.ac.cn)
英文摘要	Thirty-seven diterpenoid alkaloids (DAs) with diverse structures were isolated and identified from the lateral roots of Aconitum carmichaelii Debx., comprising eight C-20-DAs and twenty-nine C-19-DAs. Besides the 31 known DAs identified by comparing the H-1 NMR and C-13 NMR data with those reported in the literature, the structures of four new compounds (1, 14, 17, and 25), and two other compounds (26 and 37) which were reported to be synthesized previously, were also elucidated based on the comprehensive analysis of their HR-ESI-MS, 1D and 2D NMR spectra, including H-1-H-1 COSY, HSQC and HMBC and NOESY/ROESY. Among them, compound 1 represents the first example of a C-20-DA glucoside. Besides, the anti-tumor activities of all the isolated compounds against human non-small-cell lung cancer A549 and H460 cells were systematically evaluated by MTT methods. The results revealed that all of the C-19-DAs possessed moderate activities against both of the two cell lines with IC50 values ranging from 7.97 to 28.42 mu M, and their structure-activity relationships indicated the active sites of C-8, C-10, and C-14 positions and the nitrogen atom in the C-19-DA skeleton. In addition, all of the isolated DAs, with chemical structures confirmed, were further applied for network pharmacology analysis, in order to give an insight into the possible mechanisms of their anti-tumor activities. As a result, 173 potential targets and three most important pathways related to non-small-cell lung carcinoma were finally unearthed.
资助项目	National Key R&D Program of China[2019YFC1711000] ; Qi-Huang Chief Scientist Program of National Administration of Traditional Chinese Medicine
WOS关键词	C-19-DITERPENOID ALKALOIDS ; WEB SERVER ; IDENTIFICATION ; REVISIONS ; PATHWAY ; TARGETS
WOS研究方向	Chemistry
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000683150000017
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/298101]
专题	中国科学院上海药物研究所
通讯作者	Guo, De-an
作者单位	1.Nanjing Univ Chinese Med, Sch Chinese Mat Med, Nanjing 210023, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Mat Med, Natl Engn Lab TCM Standardizat Technol, Shanghai Res Ctr Modernizat Tradit Chinese Med, Shanghai 201203, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 4.China Pharmaceut Univ, Sch Tradit Chinese Pharm, Nanjing 210009, Peoples R China
推荐引用方式 GB/T 7714	Yu, Yang,Wu, Shifei,Zhang, Jianqing,et al. Structurally diverse diterpenoid alkaloids from the lateral roots of Aconitum carmichaelii Debx. and their anti-tumor activities based on in vitro systematic evaluation and network pharmacology analysis[J]. RSC ADVANCES,2021,11(43):26594-26606.
APA	Yu, Yang.,Wu, Shifei.,Zhang, Jianqing.,Li, Jiayuan.,Yao, Changliang.,...&Guo, De-an.(2021).Structurally diverse diterpenoid alkaloids from the lateral roots of Aconitum carmichaelii Debx. and their anti-tumor activities based on in vitro systematic evaluation and network pharmacology analysis.RSC ADVANCES,11(43),26594-26606.
MLA	Yu, Yang,et al."Structurally diverse diterpenoid alkaloids from the lateral roots of Aconitum carmichaelii Debx. and their anti-tumor activities based on in vitro systematic evaluation and network pharmacology analysis".RSC ADVANCES 11.43(2021):26594-26606.