Structure Elucidation and Theoretical Investigation of Key Steps in the Biogenetic Pathway of Schisanartane Nortriterpenoids by Using DFT Methods
文献类型：期刊论文
| 作者 | Xiao, Wei-Lie1; Lei, Chun1; Ren, Jie1; Liao, Tou-Gen1; Pu, Jian-Xin1 ; Pittman, Charles U., Jr.2; Lu, Yang3; Zheng, Yong-Tang4,5; Zhu, Hua-Jie1; Sun, Han-Dong1
|
| 刊名 | CHEMISTRY-A EUROPEAN JOURNAL
 |
| 出版日期 | 2008 |
| 卷号 | 14期号:36页码:11584-11592 |
| 关键词 | Biogenetic Pathway Biological Activity Density Functional Calculations Nortriterpenoids X-ray Absorption Spectroscopy |
| ISSN号 | 0947-6539 |
| DOI | 10.1002/chem.200801092 |
| 文献子类 | Article |
| 英文摘要 | Rubrifloradilactone C (4), a novel bioactive nortriterpenoid, along with four other nortriterpenoids (1-3, 5) were isolated from Schisandra rubriflora. The structure of 4 was determined by extensive NMR spectral analysis, computational evidence by using the GIAO method at the B3LYP/6-311 + + G(2d,p)//B3LYP/6-31G(d) levels, and X-ray analysis. DFT at the B3LYP/6-311 + G(d,p) level was selected to clarify the key mechanistic steps in the formation of 1 and 4 through transition-state (TS) investigations. The effect of enzymes oil the TS barriers was considered by using the polarized Continuum model. Other possible products based on the new mechanism were predicted. |
| 学科主题 | Chemistry ; Multidisciplinary |
| WOS关键词 | ANTI-HIV ACTIVITY ; SCHISANDRA-LANCIFOLIA ; TRITERPENE LACTONES ; GAMMA-LACTONES ; CARBOXYLIC-ACIDS ; UNIQUE SKELETON ; ABIES-MARIESII ; OLEFINS ; BARK ; CHEMISTRY |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000262002900036 |
| 资助机构 | CAS [YZ-06-01]; National Natural Science Foundation of China [30770235]; Yong Academic and Technical Leader Raising Foundation of Yunnan province [2006PY01-47]; Key Scientific and Technological projects of China and Yunnan Province [2004A719A14, 2004NG12, 2005B0048M]; Natural Science Foundation of Yunnan Province [2005XY04, 2006B0042Q]; Mississippi State University Education |
| 公开日期 | 2011-11-24 |
| 源URL | [http://ir.kib.ac.cn:8080/handle/151853/1757]  |
| 专题 | 昆明植物研究所_植物化学与西部植物资源持续利用国家重点实验室 |
| 作者单位 | 1.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources W China, Kunming 650204, Yunnan, Peoples R China 2.Mississippi State Univ, Dept Chem, Mississippi State, MS 39762 USA 3.Chinese Acad Med Sci, Inst Mat Med, Beijing 100050, Peoples R China 4.Chinese Acad Sci, Kunming Inst Zool, Key Lab Anim Models & Human Dis Mech, Kunming 650223, Yunnan, Peoples R China 5.Chinese Acad Sci, Kunming Inst Zool, Lab Mol Immunopharmacol, Kunming 650223, Yunnan, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xiao, Wei-Lie,Lei, Chun,Ren, Jie,et al. Structure Elucidation and Theoretical Investigation of Key Steps in the Biogenetic Pathway of Schisanartane Nortriterpenoids by Using DFT Methods[J]. CHEMISTRY-A EUROPEAN JOURNAL,2008,14(36):11584-11592. |
| APA | Xiao, Wei-Lie.,Lei, Chun.,Ren, Jie.,Liao, Tou-Gen.,Pu, Jian-Xin.,...&Sun, Han-Dong.(2008).Structure Elucidation and Theoretical Investigation of Key Steps in the Biogenetic Pathway of Schisanartane Nortriterpenoids by Using DFT Methods.CHEMISTRY-A EUROPEAN JOURNAL,14(36),11584-11592. |
| MLA | Xiao, Wei-Lie,et al."Structure Elucidation and Theoretical Investigation of Key Steps in the Biogenetic Pathway of Schisanartane Nortriterpenoids by Using DFT Methods".CHEMISTRY-A EUROPEAN JOURNAL 14.36(2008):11584-11592. |
入库方式： OAI收割
来源：昆明植物研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。