Pharmacophore models and 3D-QSAR studies of rat and fly's GABA receptor inhibitors
文献类型：期刊论文
| 作者 | Ren, TR; Shen, B; Pei, JF; Wang, YS; Xiang, WS |
| 刊名 | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
 |
| 出版日期 | 2005-03-10 |
| 卷号 | 26期号:3页码:546-549 |
| 关键词 | GABA(A) receptor pharmacophore model 3D-QSAR comparative molecular field analysis (CoMFA) |
| ISSN号 | 0251-0790 |
| 其他题名 | Chem. J. Chin. Univ.-Chin. |
| 中文摘要 | gamma-Aminobutyric acid(GABA) plays an important role as a major inhibitory neurotransmitter in both vertebrates and invertebrates, which have similar but pharmacologically distinct GABA(A) receptors, so insects' GABA(A) receptors are regarded as a promising target for insecticides. In this paper, two pharmacophore models of rat and fly's GABA(A) receptors for a series of reported inhibitors were studied by DIS-COtech methodology, which laid a foundation for finding the leading compounds and designing new selective compounds. According to this study, the three-dimensional quantitative structure and activity relationships were studied, which gave two predictive CoMFA models with q(rat)(2), = 0.526 and q(fly)(2) = 0.679. The CoMFA models verified the pharmacophore models, and gave insights to the design of better GABA(A) receptor inhibitors. |
| 英文摘要 | gamma-Aminobutyric acid(GABA) plays an important role as a major inhibitory neurotransmitter in both vertebrates and invertebrates, which have similar but pharmacologically distinct GABA(A) receptors, so insects' GABA(A) receptors are regarded as a promising target for insecticides. In this paper, two pharmacophore models of rat and fly's GABA(A) receptors for a series of reported inhibitors were studied by DIS-COtech methodology, which laid a foundation for finding the leading compounds and designing new selective compounds. According to this study, the three-dimensional quantitative structure and activity relationships were studied, which gave two predictive CoMFA models with q(rat)(2), = 0.526 and q(fly)(2) = 0.679. The CoMFA models verified the pharmacophore models, and gave insights to the design of better GABA(A) receptor inhibitors. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | GAMMA-AMINOBUTYRIC-ACID ; CHANNELS ; BINDING |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000228021800035 |
| 公开日期 | 2013-10-25 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/4219]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, Natl Engn Res Ctr Biotechnol, Beijing 100080, Peoples R China 2.Peking Univ, Coll Chem & Mol Engn, Ctr Theoret Biol, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100871, Peoples R China 3.Chinese Acad Sci, Comp Network Informat Ctr, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ren, TR,Shen, B,Pei, JF,et al. Pharmacophore models and 3D-QSAR studies of rat and fly's GABA receptor inhibitors[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2005,26(3):546-549. |
| APA | Ren, TR,Shen, B,Pei, JF,Wang, YS,&Xiang, WS.(2005).Pharmacophore models and 3D-QSAR studies of rat and fly's GABA receptor inhibitors.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,26(3),546-549. |
| MLA | Ren, TR,et al."Pharmacophore models and 3D-QSAR studies of rat and fly's GABA receptor inhibitors".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 26.3(2005):546-549. |
入库方式： OAI收割
来源：过程工程研究所
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