3D-QSAR study of benzodiazepines at five recombinant GABA(A)/benzodiazepine receptor subtypes
文献类型：期刊论文
| 作者 | Lu, AJ; Liu, B; Liu, HB; Zhou, JJ |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 2004-05-01 |
| 卷号 | 20期号:5页码:488-493 |
| 关键词 | comparative molecular field analysis (CoMFA) benzodiazepine (BZ) GABA(A) receptor |
| ISSN号 | 1000-6818 |
| 其他题名 | Acta Phys.-Chim. Sin. |
| 中文摘要 | GABA(A) receptor is the major neurotransmitter system in the central nervous system(CNS) and elicits a wide range of neuronal physiological activities. Since anxiolytic/anticonvulsant agents have been employed widely in clinic, the receptor sites for the benzodiazepine are of prime importance. Studies on quantitative structure-activity relationship with CoMFA for the binding affinities of a series of imidazobenzodiazepines at five recombinant receptor subtypes were carried out successfully, and a good crossvalidated correlation was obtained for each receptor subtype. Then a set of non-cross-validated PLS models was built and permitted demonstration of high predictability for the affinities of the six ligands in the test set selected in random at all five receptorsubtypes. The modals can help design high affinitiy ligands on the GABA(A)/BZ receptor and understand the GABAA receptor modal. |
| 英文摘要 | GABA(A) receptor is the major neurotransmitter system in the central nervous system(CNS) and elicits a wide range of neuronal physiological activities. Since anxiolytic/anticonvulsant agents have been employed widely in clinic, the receptor sites for the benzodiazepine are of prime importance. Studies on quantitative structure-activity relationship with CoMFA for the binding affinities of a series of imidazobenzodiazepines at five recombinant receptor subtypes were carried out successfully, and a good crossvalidated correlation was obtained for each receptor subtype. Then a set of non-cross-validated PLS models was built and permitted demonstration of high predictability for the affinities of the six ligands in the test set selected in random at all five receptorsubtypes. The modals can help design high affinitiy ligands on the GABA(A)/BZ receptor and understand the GABAA receptor modal. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | GABA-A RECEPTORS ; SUBUNIT COMPOSITION ; DIAZEPAM ; BINDING ; IMIDAZOBENZODIAZEPINES ; PHARMACOLOGY ; CELLS ; RO-15-4513 ; CLONING ; MODELS |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000221624700009 |
| 公开日期 | 2013-11-05 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/4894]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | Chinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lu, AJ,Liu, B,Liu, HB,et al. 3D-QSAR study of benzodiazepines at five recombinant GABA(A)/benzodiazepine receptor subtypes[J]. ACTA PHYSICO-CHIMICA SINICA,2004,20(5):488-493. |
| APA | Lu, AJ,Liu, B,Liu, HB,&Zhou, JJ.(2004).3D-QSAR study of benzodiazepines at five recombinant GABA(A)/benzodiazepine receptor subtypes.ACTA PHYSICO-CHIMICA SINICA,20(5),488-493. |
| MLA | Lu, AJ,et al."3D-QSAR study of benzodiazepines at five recombinant GABA(A)/benzodiazepine receptor subtypes".ACTA PHYSICO-CHIMICA SINICA 20.5(2004):488-493. |
入库方式： OAI收割
来源：过程工程研究所
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