Topological estimation of cytotoxic activity of some anti-HIV agents: HEPT analogues

被引：3
|
作者：
Agrawal, VK
Mishra, K
Sharma, R
Khadikar, PV [1 ]
机构：
[1] APS Univ, QSAR & Comp Chem Labs, Rewa 486003, India
[2] Laxmi Fumigat & Pest Control Pvt Ltd, Div Res, Indore 452007, India
来源：
JOURNAL OF CHEMICAL SCIENCES | 2004年 / 116卷 / 02期
关键词：
anti-HIV agents; molecular modelling; van der Waals volume; cytotoxic activity; HEPT analogues; equalized electronegativity;
D O I：
10.1007/BF02708201
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
QSAR studies on anti-HIV cytotoxic activities of a series of HEPT(1-[(2-hydroxyethoxy) methyl]-6-(phenylthio)-thymine) analogues have been discussed. The molecular descriptors used being van der Waals volume (Vw) and equalized electronegativity (chi(eq)). The in vitro cytotoxicities (pCC(50)) were modelled using these parameters. It was observed that upon introduction of indicator parameters statistically excellent models are obtained. The predictive power of the models was examined using a cross-validation method.
引用
收藏
页码：93 / 99
页数：7
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