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 WL1; Lei C1; Ren J1; Liao TG1; Pu JX[1]1; Pittman CU2; Lu Y3; Zheng YT4; Zhu HJ[*]1; Sun HD[*]1 |
| 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 |
| 通讯作者 | hjzhu@mail.kib.ac.cn |
| 合作状况 | 其它 |
| 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. |
| 收录类别 | SCI |
| 资助信息 | This work was supported by grants from Xibuzhiguang Project from CAS to W-L. Xiao and Cooperation Fund of CAS (YZ-06-01), the National Natural Science Foundation of China (30770235), the Yong Academic and |
| 原文出处 | 20081411584.pdf |
| 语种 | 英语 |
| 公开日期 | 2010-08-24 |
| 源URL | [http://159.226.149.42:8088/handle/152453/4611]  |
| 专题 | 昆明动物研究所_分子免疫药理学 昆明动物研究所_动物模型与人类重大疾病机理重点实验室 |
| 作者单位 | 1.State Key Laboratory of Phytochemistry and Plant Resources in West China Kunming Institute of Botany, Chinese Academy of Sciences Heilongtan, Kunming 650204, Yunnan (China) 2.Department of Chemistry, Mississippi State University Mississippi State, 39762, MS (USA) 3.Institute of Materia Medica Chinese Academy of Medical Sciences Beijing 100050 (China) 4.Key Laboratory of Animal Models and Human Disease Mechanisms and Laboratory of Molecular Immunopharmacology Kunming Institute of Zoology, Chinese Academy of Sciences Kunming 650223, Yunnan (China) |
| 推荐引用方式 GB/T 7714 | Xiao WL,Lei C,Ren J,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 WL.,Lei C.,Ren J.,Liao TG.,Pu JX[1].,...&Sun HD[*].(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 WL,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：昆明动物研究所
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