A QSAR study for the cytotoxic activities of taxoids against macrophage (MΦ)-like cells

被引：11

作者：

Hansch, Corwin ^{[1
]}

Verma, Rajeshwar P. ^{[1
]}

机构：

[1] Pomona Coll, Dept Chem, Claremont, CA 91711 USA

来源：

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | 2009年 / 44卷 / 01期

关键词：

Hydrophobicity; Macrophage (M Phi)-like cells; Molar refractivity; Quantitative structure-activity relationship (QSAR); Taxoids; CONNECTIVITY INDEXES; PACLITAXEL; MODELS; DESCRIPTORS; VALIDATION; APOPTOSIS; ANALOGS; TERMS;

D O I：

10.1016/j.ejmech.2008.02.041

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A series of taxoids (modified at the C-3'N position) have been used for the development of two QSAR models for their cytotoxic activities against macrophage (M Phi)-like cells J774.1 and J7.DEF3. QSAR results suggest that hydrophobic and steric features influence the inhibitory activity in a linear model. The C log P values were not great enough to establish the upper limit of the inhibition. Internal [cross-validation, quality factor (Q), Fischer statistics (F), Y-randomization, and lack of overfitting tests] and external validation tests have validated both the QSAR models. (C) 2008 Elsevier Masson SAS. All rights reserved.

引用

页码：274 / 279

页数：6

共 39 条

[1] QSAR study on topically acting sulfonamides incorporating GABA moieties: A molecular connectivity approach [J].