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New Cladiellin-Type Diterpenoids from the South China Sea Soft Coral Cladiella krempfi: Structures and Molecular Docking Analysis in EGFRs

文献类型：期刊论文

作者Jin, Yang2,3; Yao, Li-Gong1,2; Guo, Yue-Wei1,2,3; Li, Xu-Wen1,2,3
刊名MARINE DRUGS
出版日期2022-06-01
卷号20期号:6页码:12
关键词soft coral Cladiella krempfi cladiellin-type diterpenoid X-ray diffraction structure-activity relationship
DOI10.3390/md20060381
通讯作者Guo, Yue-Wei(ywguo@simm.ac.cn) ; Li, Xu-Wen(xwli@simm.ac.cn)
英文摘要Two new cladiellin-type diterpenoids (1 and 2) and four known related compounds 3-6, were isolated from the South China Sea soft coral Cladiella krempfi. Compound 2 is the third example of cladiellins of an unusual peroxy group in the C-6 position in C. krempfi. The structures and absolute configurations of the new compounds were established by extensive spectroscopic analysis, X-ray diffraction, and/or chemical correlation. In bioassay, all the compounds were evaluated for cytotoxicity and epidermal growth factor receptor (EGFR) inhibitory activity. A molecular docking experiment was conducted to study the structure-activity relationship of cladiellin-type diterpenoids on EGFR inhibitory activity.
WOS关键词EUNICELLIN-BASED DITERPENOIDS ; 2,11-CYCLIZED CEMBRANOIDS ; SCLEROPHYTIN-F ; GROWTH
资助项目National Key Research and Development Program of China[2021YFF0502400] ; National Natural Science Foundation of China[42076099] ; National Natural Science Foundation of China[81991521] ; National Natural Science Foundation of China[82022069] ; Shanghai Rising-Star Program[20QA1411100] ; Youth Innovation Promotion Association of Chinese Academy of Sciences[Y202065] ; SKLDR/SIMM Project[SIMM2103ZZ-06]
WOS研究方向Pharmacology & Pharmacy
语种英语
出版者MDPI
WOS记录号WOS:000817708800001
源URL[http://119.78.100.183/handle/2S10ELR8/301753]  
专题新药研究国家重点实验室
通讯作者Guo, Yue-Wei; Li, Xu-Wen
作者单位1.Bohai Rim Adv Res Inst Drug Discovery, Drug Discovery Shandong Lab, Yantai 264117, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, 555 Zu Chong Zhi Rd,Zhangjiang Hitech Pk, Shanghai 201203, Peoples R China
3.Nanjing Univ Chinese Med, Sch Chinese Mat Med, Nanjing 210023, Peoples R China
推荐引用方式
GB/T 7714		 Jin, Yang,Yao, Li-Gong,Guo, Yue-Wei,et al. New Cladiellin-Type Diterpenoids from the South China Sea Soft Coral Cladiella krempfi: Structures and Molecular Docking Analysis in EGFRs[J]. MARINE DRUGS,2022,20(6):12.
APA Jin, Yang,Yao, Li-Gong,Guo, Yue-Wei,&Li, Xu-Wen.(2022).New Cladiellin-Type Diterpenoids from the South China Sea Soft Coral Cladiella krempfi: Structures and Molecular Docking Analysis in EGFRs.MARINE DRUGS,20(6),12.
MLA Jin, Yang,et al."New Cladiellin-Type Diterpenoids from the South China Sea Soft Coral Cladiella krempfi: Structures and Molecular Docking Analysis in EGFRs".MARINE DRUGS 20.6(2022):12.

入库方式： OAI收割

来源：上海药物研究所

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