QSAR study on some pyridoacridine ascididemin analogues as anti-tumor agents

被引：35

作者：

Debnath, B ^{[1
]}

Gayen, S ^{[1
]}

Bhattacharya, S ^{[1
]}

Samanta, S ^{[1
]}

Jha, T ^{[1
]}

机构：

[1] Jadavpur Univ, Dept Pharmaceut Technol, Div Med & Pharmaceut Chem, Kolkata 700032, W Bengal, India

来源：

BIOORGANIC & MEDICINAL CHEMISTRY | 2003年 / 11卷 / 24期

关键词：

D O I：

10.1016/j.bmc.2003.09.022

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：

Pyridoacridine ascididemin analogues have been reported as anticancer agents for their interesting antitumor activity against human cancer cells. A quantitative structure-activity relationship (QSAR) analysis of ascididemin analogues was attempted using the physicochemical parameters and the electrotopological state atom (ETSA) indices. This study indicates that the electron withdrawing substituents with higher MR (molar refractivity) value at R-1 position favor the anti-tumor activity and the presence of NHR (R is hydrogen or alkyl group) at the R-3 Position has contribution to the anti-tumor activity. ETSA indices have been incorporated as independent variable in the QSAR model with physicochemical parameters. It clearly suggests the importance of atoms 2, 3, 4, 5, 6 and 7 to the anti-tumor activity. (C) 2003 Elsevier Ltd. All rights reserved.

引用

页码：5493 / 5499

页数：7

共 25 条

[21] QSAR study on adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues using the Hansch approach [J].