3D-QSAR study on 4,4-diaryl-3-butenyl derivatives of nipecotic acid and guvacine with comparative molecular field analysis
文献类型：期刊论文
| 作者 | Zheng JB(郑剑斌)1; Wen R(闻韧)1; Luo XM(罗小民)2 ; 蒋华良郑剑斌; Jiang HL(蒋华良)2
|
| 刊名 | Chinese Journal of Medicinal Chemistry
 |
| 出版日期 | 2004 |
| 卷号 | 14期号:4页码:197 |
| 关键词 | medicinal chemistry 3D-QSAR CoMFA nipecotic acid derivatives guvacine derivatives GABA uptake inhibitors |
| ISSN号 | 1005-0108 |
| 其他题名 | 3-哌啶甲酸和四氢烟酸的4,4-二芳基-3-丁烯衍生物的三维定量构效关系(比较分子力场分析)研究 |
| 文献子类 | Article |
| 英文摘要 | Aim To study the relationship between the structures of a series of 4,4-diaryl-3-butenyl derivatives of nipecotic acid and guvacine and their inhibition activity of the gamma-aminobutyric acid(GABA)uptake.Method Comparative molecular field analysis(CoMFA),a three dimensional quantitative structure-activity relationship(3D-QSAR)method was applied to the study.Results and Conclusion The coefficient of cross-validation q2 and non cross-validation r2 for the model established by the study are 0.726 and 0.986 respectively,the value of the variance ratio F is 117.562 and the standard error estimate(SEE)is 0.062.These values indicate that the CoMFA model derived is significant and might have a good prediction for the inhibition activity of 4,4-diaryl-3-butenyl derivatives of nipecotic acid and guvacine compounds. |
| WOS研究方向 | Pharmacology & Pharmacy (provided by Clarivate Analytics) |
| 语种 | 英语 |
| CSCD记录号 | CSCD:1612365 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/268375]  |
| 专题 | 药物发现与设计中心 |
| 作者单位 | 1.复旦大学药学院药物化学教研室, 上海 200032, 中国.; 2.中国科学院上海药物研究所, 上海 201203, 中国. |
| 推荐引用方式 GB/T 7714 | Zheng JB,Wen R,Luo XM,et al. 3D-QSAR study on 4,4-diaryl-3-butenyl derivatives of nipecotic acid and guvacine with comparative molecular field analysis[J]. Chinese Journal of Medicinal Chemistry,2004,14(4):197. |
| APA | 郑剑斌,闻韧,罗小民,蒋华良郑剑斌,&蒋华良.(2004).3D-QSAR study on 4,4-diaryl-3-butenyl derivatives of nipecotic acid and guvacine with comparative molecular field analysis.Chinese Journal of Medicinal Chemistry,14(4),197. |
| MLA | 郑剑斌,et al."3D-QSAR study on 4,4-diaryl-3-butenyl derivatives of nipecotic acid and guvacine with comparative molecular field analysis".Chinese Journal of Medicinal Chemistry 14.4(2004):197. |
入库方式： OAI收割
来源：上海药物研究所
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。