Pseudoreceptor models and 3D-QSAR for imidazobenzodiazepines at GABA(A)/BzR subtypes alpha(x)beta(3)gamma(2) x=1-3, 5, and 6 via flexible atom receptor model
文献类型：期刊论文
| 作者 | Lu, A. J. ; Zhou, J. J. |
| 刊名 | Journal of Chemical Information and Computer Sciences
 |
| 出版日期 | 2004 |
| 期号 | 3页码:1130-1136 |
| 关键词 | insensitive benzodiazepine receptors high-affinity alcohol antagonist surface models binding-site diazepam ligands construction subunit pharmacophore |
| 其他题名 | J. Chem. Inf. Comput. Sci. |
| 中文摘要 | Since benzodiazepines have been used widely in the treatment of anxiety, sleeplessness, and epilepsy, the receptor sites for the benzodiazepine are of prime importance. Quantitative structure-activity relationship (QSAR) studies and receptor modeling via Flexible Atom Receptor Model(FLARM) for the binding affinities of a series of imidazobenzodiazepines at five recombinant receptor subtypes were carried out successfully. The 3D-QSAR models for all five receptor subtypes were examined by a set of test set and demonstrated their high predictability for affinities of imidazobenzodiazepines at five receptor subtypes. The pseudoreceptors yielded by FLARM were compared to the united pharmacophore/receptor model. The result shows that two hydrogen bonds and other regions in the united pharmacophore/receptor model are presented in the pseudoreceptors, which demonstrates the receptor modeling capability of FLARM. The models and pseudoreceptors can help design high affinity ligands on the GABA(A)/BZ receptor and understand the GABA(A) receptor. |
| 原文出处 | |
| 语种 | 英语 |
| 公开日期 | 2013-11-05 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/5003]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 推荐引用方式 GB/T 7714 | Lu, A. J.,Zhou, J. J.. Pseudoreceptor models and 3D-QSAR for imidazobenzodiazepines at GABA(A)/BzR subtypes alpha(x)beta(3)gamma(2) x=1-3, 5, and 6 via flexible atom receptor model[J]. Journal of Chemical Information and Computer Sciences,2004(3):1130-1136. |
| APA | Lu, A. J.,&Zhou, J. J..(2004).Pseudoreceptor models and 3D-QSAR for imidazobenzodiazepines at GABA(A)/BzR subtypes alpha(x)beta(3)gamma(2) x=1-3, 5, and 6 via flexible atom receptor model.Journal of Chemical Information and Computer Sciences(3),1130-1136. |
| MLA | Lu, A. J.,et al."Pseudoreceptor models and 3D-QSAR for imidazobenzodiazepines at GABA(A)/BzR subtypes alpha(x)beta(3)gamma(2) x=1-3, 5, and 6 via flexible atom receptor model".Journal of Chemical Information and Computer Sciences .3(2004):1130-1136. |
入库方式： OAI收割
来源：过程工程研究所
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