A QSAR study on inhibitory activities of 1-phenylbenzimidazoles against the platelet-derived growth factor receptor

被引：36

作者：

Zhong, CL ^{[1
]}

He, JT ^{[1
]}

Xue, CY ^{[1
]}

Li, YJ ^{[1
]}

机构：

[1] Beijing Inst Chem Technol, Dept Chem Engn, Key Lab Nanomat, Minist Educ, Beijing 100029, Peoples R China

来源：

BIOORGANIC & MEDICINAL CHEMISTRY | 2004年 / 12卷 / 15期

关键词：

QSAR; connectivity index; the platelet-derived growth factor receptor;

D O I：

10.1016/j.bmc.2004.06.002

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 quantitative structure-activity relationship (QSAR) study on inhibitory activities of 1-phenylbenzimidazoles against the platelet-derived growth factor receptor (PDGFR) was carried out in this work, and a QSAR model was developed. It gives an r(2) of 0.78 for the training set of 55 active compounds, and an r(2) of 0.75 for the test set of 24 active compounds. The new model was further applied to predict inhibitory activities of additional 44 inactive compounds, and very good agreement with experimental observations was obtained. The new model requires only variable connectivity indices and two position indices as input parameters, which is simple and easy to apply. The new model is useful for developing new anticancer drugs, which also demonstrates that the recently developed variable connectivity indices are very useful structural descriptors in the QSAR studies in the fields of pharmaceutics and biochemistry. (C) 2004 Elsevier Ltd. All rights reserved.

引用

页码：4009 / 4015

页数：7

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