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 |
| 通讯作者 | Ren, tr(trren@home.ipe.ac.cn) |
| 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关键词 | GAMMA-AMINOBUTYRIC-ACID ; CHANNELS ; BINDING |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000228021800035 |
| 出版者 | HIGHER EDUCATION PRESS |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2374092 |
| 专题 | 计算机网络信息中心 |
| 通讯作者 | Ren, TR |
| 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. |
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