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Forrestiacids A and B, Pentaterpene Inhibitors of ACL and Lipogenesis: Extending the Limits of Computational NMR Methods in the Structure Assignment of Complex Natural Products

文献类型：期刊论文

作者Xiong, Juan1; Zhou, Peng-Jun1; Jiang, Hao-Wen2; Huang, Ting1; He, Yu-Hang1; Zhao, Ze-Yu1; Zang, Yi2; Choo, Yeun-Mun3; Wang, Xiaojuan4; Chittiboyina, Amar G.5
刊名ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
出版日期2021-09-02
页码7
ISSN号1433-7851
关键词forrestiacids lipogenesis inhibitors natural products structure elucidation terpenoids
DOI10.1002/anie.202109082
通讯作者Hamann, Mark T.(hamannm@musc.edu) ; Li, Jia(jli@simm.ac.cn) ; Hu, Jin-Feng(jfhu@fudan.edu.cn)
英文摘要Forrestiacids A (1) and B (2) are a novel class of [4+2] type pentaterpenoids derived from a rearranged lanostane moiety (dienophile) and an abietane unit (diene). These unprecedented molecules were isolated using guidance by molecular ion networking (MoIN) from Pseudotsuga forrestii, an endangered member of the Asian Douglas Fir Family. The intermolecular hetero-Diels-Alder adducts feature an unusual bicyclo[2.2.2]octene ring system. Their structures were elucidated by spectroscopic analysis, GIAO NMR calculations and DP4+ probability analyses, electronic circular dichroism calculations, and X-ray diffraction analysis. This unique addition to the pentaterpene family represents the largest and the most complex molecule successfully assigned using computational approaches to predict accurately chemical shift values. Compounds 1 and 2 exhibited potent inhibitory activities (IC(50)s mu M) of ATP-citrate lyase (ACL), a new drug target for the treatment of glycolipid metabolic disorders including hyperlipidemia. Validating this activity 1 effectively attenuated the de novo lipogenesis in HepG2 cells. These findings provide a new chemical class for developing potential therapeutic agents for ACL-related diseases with strong links to traditional medicines.
WOS关键词ATP-CITRATE LYASE ; DIELS-ALDER ADDUCTS
资助项目National Natural Science Foundation of China[21937002] ; National Natural Science Foundation of China[81773599] ; National Natural Science Foundation of China[21772025]
WOS研究方向Chemistry
语种英语
出版者WILEY-V C H VERLAG GMBH
WOS记录号WOS:000692020000001
源URL[http://119.78.100.183/handle/2S10ELR8/297706]  
专题新药研究国家重点实验室
通讯作者Hamann, Mark T.; Li, Jia; Hu, Jin-Feng
作者单位1.Fudan Univ, Sch Pharm, Shanghai 201203, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China
3.Univ Malaya, Fac Sci, Dept Chem, Kuala Lumpur 50603, Malaysia
4.Lanzhou Univ, Sch Pharm, Lanzhou 730000, Gansu, Peoples R China
5.Univ Mississippi, Natl Ctr Nat Prod Res, Oxford, MS 38677 USA
6.Med Univ South Carolina, Coll Pharm & Med, Charleston, SC 29425 USA
7.Taizhou Univ, Sch Adv Study, Taizhou 318000, Zhejiang, Peoples R China
推荐引用方式
GB/T 7714		 Xiong, Juan,Zhou, Peng-Jun,Jiang, Hao-Wen,et al. Forrestiacids A and B, Pentaterpene Inhibitors of ACL and Lipogenesis: Extending the Limits of Computational NMR Methods in the Structure Assignment of Complex Natural Products[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2021:7.
APA Xiong, Juan.,Zhou, Peng-Jun.,Jiang, Hao-Wen.,Huang, Ting.,He, Yu-Hang.,...&Hu, Jin-Feng.(2021).Forrestiacids A and B, Pentaterpene Inhibitors of ACL and Lipogenesis: Extending the Limits of Computational NMR Methods in the Structure Assignment of Complex Natural Products.ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,7.
MLA Xiong, Juan,et al."Forrestiacids A and B, Pentaterpene Inhibitors of ACL and Lipogenesis: Extending the Limits of Computational NMR Methods in the Structure Assignment of Complex Natural Products".ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021):7.

入库方式： OAI收割

来源：上海药物研究所

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