Pharmacophore identification and 3D-QSAR studies in N-(2-benzoyl phenyl)-L-tyrosines as PPARγ agonists

被引：22

作者：

Rathi, L ^{[1
]}

Kashaw, SK ^{[1
]}

Dixit, A ^{[1
]}

Pandey, G ^{[1
]}

Saxena, AK ^{[1
]}

机构：

[1] Cent Drug Res Inst, Div Med Chem, Lucknow 226001, Uttar Pradesh, India

来源：

BIOORGANIC & MEDICINAL CHEMISTRY | 2004年 / 12卷 / 01期

关键词：

PPAR gamma agonist; pharmacophoric mapping; QSAR;

D O I：

10.1016/j.bmc.2003.10.032

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：

The identification of pharmacophore and three dimensional quantitative structure-activity studies have been performed on a set of N-(2-Benzoylphenyl)-L-tyrosine for their PPARgamma agonist activity by using the logico-structural based software Apex 3D-which describes the properties and distribution of primary and secondary biophore sites in the three dimensional space. Among several models, two models of comparable probability were selected on the basis of R-2 > 0.60, chance less than or equal to 0.04, size < 4, match > 0.20. These models showed a good correlation between the observed and predicted biological activity both for training and test sets. (C) 2003 Elsevier Ltd. All rights reserved.

引用

页码：63 / 69

页数：7

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