Research on pseudoreceptor models for the inhibitors at GABA receptors via flexible atom receptor model
文献类型：期刊论文
| 作者 | Shen, B; Lu, ZH; Chi, XB; Lu, HF; Ren, TR |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 2005-07-01 |
| 卷号 | 21期号:7页码:800-803 |
| 关键词 | flexible atom receptor model(Flarm) GABA receptor quantitative structure activity relationship(QSAR) Inhibitor |
| ISSN号 | 1000-6818 |
| 其他题名 | Acta Phys.-Chim. Sin. |
| 中文摘要 | A selective pseudoreceptor models for the inhibitors at GABA receptors of fly and rat were built via Flarm program. The pseudoreceptor models simulated the receptors very well and had good predicting ability. The q(2) values of the training sets were 0.874 and 0.897, and the r(2) values of the predict sets were 0.962 and 0.733. The Flarm models predicted that there are five binding sites when the compounds bind with GABA receptors, but there might be some different favoritism between the GABA receptors of fly and rat. The results were in accordance with pharmacorphore models built in previous research, and all the results gave insight to find the rela-tions and differences between the inhibitors acting on the GABA receptor of fly and rat. |
| 英文摘要 | A selective pseudoreceptor models for the inhibitors at GABA receptors of fly and rat were built via Flarm program. The pseudoreceptor models simulated the receptors very well and had good predicting ability. The q(2) values of the training sets were 0.874 and 0.897, and the r(2) values of the predict sets were 0.962 and 0.733. The Flarm models predicted that there are five binding sites when the compounds bind with GABA receptors, but there might be some different favoritism between the GABA receptors of fly and rat. The results were in accordance with pharmacorphore models built in previous research, and all the results gave insight to find the rela-tions and differences between the inhibitors acting on the GABA receptor of fly and rat. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | GAMMA-AMINOBUTYRIC-ACID ; CHANNELS ; 3D-QSAR ; PARM |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000230684300020 |
| 公开日期 | 2013-10-25 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/4247]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Chinese Acad Sci, Comp Network Informat Ctr, Beijing 100080, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shen, B,Lu, ZH,Chi, XB,et al. Research on pseudoreceptor models for the inhibitors at GABA receptors via flexible atom receptor model[J]. ACTA PHYSICO-CHIMICA SINICA,2005,21(7):800-803. |
| APA | Shen, B,Lu, ZH,Chi, XB,Lu, HF,&Ren, TR.(2005).Research on pseudoreceptor models for the inhibitors at GABA receptors via flexible atom receptor model.ACTA PHYSICO-CHIMICA SINICA,21(7),800-803. |
| MLA | Shen, B,et al."Research on pseudoreceptor models for the inhibitors at GABA receptors via flexible atom receptor model".ACTA PHYSICO-CHIMICA SINICA 21.7(2005):800-803. |
入库方式： OAI收割
来源：过程工程研究所
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。