QSAR studies -: potent benzodiazepine γ-secretase inhibitors

被引：13
|
作者：
Keerti, AR [1 ]
Kumar, BA [1 ]
Parthasarathy, T [1 ]
Uma, V [1 ]
机构：
[1] Nizan Coll, Dept Chem, Mol Modeling Res Grp, Hyderabad 500001, Andhra Pradesh, India
来源：
BIOORGANIC & MEDICINAL CHEMISTRY | 2005年 / 13卷 / 05期
关键词：
Alzheimer's disease; gamma-secretrase; benzodiazepine; QSAR; QlogP; SMR;
D O I：
10.1016/j.bmc.2004.11.052
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
A series of benzodiazepine compounds, which act as gamma-secretrase inhibitors were subjected to QSAR studies. A correlation between the physicochemical properties QlogP, SMR and the inhibitory activity was obtained and a model equation was generated to predict the best possible pharmacophore for treating Alzheimer's disease. The inhibitory activity of the compound depends on the lipophilicity positively and is sensitive to small changes in its SMR. The compound with a high lipophilicity (around 9.31) and low SMR gives a potent activity. (C) 2004 Elsevier Ltd. All rights reserved.
引用
收藏
页码：1873 / 1878
页数：6
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