Activity and QSAR study of baogongteng A and its derivatives as muscarinic agonists
文献类型：期刊论文
| 作者 | NIU YINYAO ; YANG LIMIN ; LIU HUIZHONG ; CUI YONGYAO ; ZHU LIANG ; FENG JUMEI ; Yao JH(姚建华) ; CHEN HONGZHUAN ; Fan BT(范波涛) ; CHEN ZENAI ; LU YANG |
| 刊名 | Bioorg. Med. Chem. Lett.
 |
| 出版日期 | 2005 |
| 卷号 | 15期号:21页码:4814-4818 |
| ISSN号 | 0960-894X |
| 其他题名 | 包公藤A及其衍生物的M受体激动剂活性及QSAR研究 |
| 通讯作者 | LU YANG |
| 英文摘要 | Baogongteng A (BGT-A), a naturally occurring tropane muscarinic agonist isolated from Chinese medicinal plant, exhibits a bioactive effect different from those of many tropane alkaloids that are muscarinic antagonists. A series of racemic derivatives of BGT-A was synthesized to study the structure-activity relationships (SAR). To explore further the SAR in this series and to ultimately design muscarinic agonists for drug development, a Comparative Molecular Field Analysis (CoMFA) was performed. The values of the leave-one-out cross-validated correlation coefficient q(2) and the conventional correlation coefficient r(2) for the model are 0.613 and 0.965, respectively. The regression analysis of the data indicated that the steric effect of N-substituted group on tropane of analyzed compounds critically affected the agonistic activity to muscarinic receptors. (c) 2005 Elsevier Ltd. All rights reserved. |
| 学科主题 | 计算机化学与化学信息学 |
| 收录类别 | SCI |
| 原文出处 | http://dx.doi.org/10.1016/j.bmcl.2005.07.045 |
| 语种 | 英语 |
| WOS记录号 | WOS:000232465900034 |
| 公开日期 | 2013-03-11 |
| 源URL | [http://202.127.28.38/handle/331003/23718]  |
| 专题 | 上海有机化学研究所_计算机化学与化学信息学研究室 |
| 推荐引用方式 GB/T 7714 | NIU YINYAO,YANG LIMIN,LIU HUIZHONG,et al. Activity and QSAR study of baogongteng A and its derivatives as muscarinic agonists[J]. Bioorg. Med. Chem. Lett.,2005,15(21):4814-4818. |
| APA | NIU YINYAO.,YANG LIMIN.,LIU HUIZHONG.,CUI YONGYAO.,ZHU LIANG.,...&LU YANG.(2005).Activity and QSAR study of baogongteng A and its derivatives as muscarinic agonists.Bioorg. Med. Chem. Lett.,15(21),4814-4818. |
| MLA | NIU YINYAO,et al."Activity and QSAR study of baogongteng A and its derivatives as muscarinic agonists".Bioorg. Med. Chem. Lett. 15.21(2005):4814-4818. |
入库方式： OAI收割
来源：上海有机化学研究所
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