Determination of the three-dimensional structure of Anemoside A3 in solution by NMR and molecular simulation
文献类型：期刊论文
| 作者 | LI Qian3; SHI Yanhong4 ; GAO Yongguang1; YE Wencai3; YAO Xinsheng2
|
| 刊名 | Journal of China Pharmaceutical University
 |
| 出版日期 | 2006 |
| 卷号 | 37期号:2页码:123-126 |
| 关键词 | NMR anemoside A3 molecular simulation NMR triterpenoid glycoside anemoside A3 three-dimensional structure |
| ISSN号 | 1000-5048 |
| 其他题名 | 核磁共振和分子模拟法研究三萜皂苷Anemoside A3在溶液中的三维结构 |
| 文献子类 | Article |
| 英文摘要 | Aim： To determine the 3D structure of anemoside A3 （3beta, 23-dihydroxyl-lup-20（29）-en-28-oic acid-3- O-alpha- L-rhamnopyranosyl（12）-a-L-arabinopyranoside） in the solution. Methods：A series of 1D and 2D NMR spectra of anemoside A3 were recorded. Program Hyperchem 7.0 was used for constrained molecular simulation with constraints derived from NMR data. Results：All the proton and carbon signals were assigned. The calculation yielded a group of well-defined global minimum solution conformations. Conclusion： The results could be used for the study of structureactivity relationships of triterpenoid glycosides. |
| WOS研究方向 | Pharmacology & Pharmacy (provided by Clarivate Analytics) |
| 语种 | 中文 |
| CSCD记录号 | CSCD:2337080 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/268218]  |
| 专题 | 分析化学研究室 |
| 作者单位 | 1.Institute of Biochemistry and Cell Biology, CAS, Shanghai 200031, China.; 2.Institute of Traditional Chinese Medicine ＆ Natural Products, Ji＇ nan University, Guangzhou, Guangdong 510632, China. 3.Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing, Jiangsu 210009, China.; 4.epartmeat of Analytical Chemistry, Shanghai Institute of Materia Medica, CAS, Shanghai 201203, China.; |
| 推荐引用方式 GB/T 7714 | LI Qian,SHI Yanhong,GAO Yongguang,et al. Determination of the three-dimensional structure of Anemoside A3 in solution by NMR and molecular simulation[J]. Journal of China Pharmaceutical University,2006,37(2):123-126. |
| APA | LI Qian,SHI Yanhong,GAO Yongguang,YE Wencai,&YAO Xinsheng.(2006).Determination of the three-dimensional structure of Anemoside A3 in solution by NMR and molecular simulation.Journal of China Pharmaceutical University,37(2),123-126. |
| MLA | LI Qian,et al."Determination of the three-dimensional structure of Anemoside A3 in solution by NMR and molecular simulation".Journal of China Pharmaceutical University 37.2(2006):123-126. |
入库方式： OAI收割
来源：上海药物研究所
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