Knowledge Management System Of Institute of process engineering,CAS
| 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 | |
| Lu, AJ; Zhou, JJ | |
| 2004-05-01 | |
| Source Publication | JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
 |
| ISSN | 0095-2338 |
| Volume | 44Issue:3Pages:1130-1136 |
| Abstract | 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. |
| Subtype | Article |
| WOS Headings | Science & Technology ; Physical Sciences ; Technology |
| DOI | 10.1021/ci034281g |
| Indexed By | SCI |
| Language | 英语 |
| WOS Keyword | INSENSITIVE BENZODIAZEPINE RECEPTORS ; HIGH-AFFINITY ; ALCOHOL ANTAGONIST ; SURFACE MODELS ; BINDING-SITE ; DIAZEPAM ; LIGANDS ; CONSTRUCTION ; SUBUNIT ; PHARMACOPHORE |
| WOS Research Area | Chemistry ; Computer Science |
| WOS Subject | Chemistry, Multidisciplinary ; Computer Science, Information Systems ; Computer Science, Interdisciplinary Applications |
| WOS ID | WOS:000221608000040 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/19235 |
| Collection | 研究所（批量导入） |
| Affiliation | Chinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China |
| Recommended Citation GB/T 7714 | Lu, AJ,Zhou, JJ. 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,2004,44(3):1130-1136. |
| APA | Lu, AJ,&Zhou, JJ.(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,44(3),1130-1136. |
| MLA | Lu, AJ,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 44.3(2004):1130-1136. |
| Files in This Item: | There are no files associated with this item. | |||||
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment