CAS OpenIR  > 研究所(批量导入)
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
Alternative TitleJ. Chem. Inf. Comput. Sci.
Lu, A. J.; Zhou, J. J.
2004
Source PublicationJournal of Chemical Information and Computer Sciences
Issue3Pages:1130-1136
AbstractSince 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.
KeywordInsensitive Benzodiazepine Receptors High-affinity Alcohol Antagonist Surface Models Binding-site Diazepam Ligands Construction Subunit Pharmacophore
URL查看原文
Language英语
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/5003
Collection研究所(批量导入)
Recommended Citation
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.
Files in This Item:
File Name/Size DocType Version Access License
Pseudoreceptor model(204KB) 限制开放CC BY-NC-SAApplication Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Lu, A. J.]'s Articles
[Zhou, J. J.]'s Articles
Baidu academic
Similar articles in Baidu academic
[Lu, A. J.]'s Articles
[Zhou, J. J.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Lu, A. J.]'s Articles
[Zhou, J. J.]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.