On the role of polarizability in QSAR

被引：109

作者：

Verma, RP ^{[1
]}

Kurup, A ^{[1
]}

Hansch, C ^{[1
]}

机构：

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

来源：

BIOORGANIC & MEDICINAL CHEMISTRY | 2005年 / 13卷 / 01期

关键词：

polarizability; NVE; QSAR; enzymes; receptors; chemical-biological interaction;

D O I：

10.1016/j.bmc.2004.09.039

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 polarizability of a molecule, an important physical property, is currently attracting our attention particularly in the area of QSAR for chemical-biological interactions. In this report, the polarizability effects on ligand-substrate interactions has been discussed in terms of NVE (number of valence electrons) using additive values for valence electrons and the formulation of a total number of 51 QSAR. The QSAR model can be illustrated by Eq. I. log 1/C = a(NVE) +/- constant (C) 2004 Elsevier Ltd. All rights reserved.

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页码：237 / 255

页数：19

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