Two-dimensional quantitative structure–activity relationship study on polyphenols as inhibitors of α-glucosidase

被引：0
|
作者：
Vesna Rastija
Drago Bešlo
Sonja Nikolić
机构：
[1] Josip Juraj Strossmayer University of Osijek,Department of Chemistry, Faculty of Agriculture
[2] The Rugjer Boskovic Institute,undefined
来源：
Medicinal Chemistry Research | 2012年 / 21卷
关键词：
Polyphenols; -Glucosidase; Inhibitory activity; QSAR;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Polyphenols and their derivates have been reported to exhibit inhibitory activity against α-glucosidase. The relationship between structure and inhibitory activity of polyphenols was studied by means of multiple linear regression analysis with use of various descriptors derived from the 2D and 3D representations of molecules and physicochemical parameters calculated by DRAGON. The best model for the prediction of inhibitory activity was obtained using combination of topological charge index (JGI2), information index (CIC2) and number of exo-conjugated C atoms (nCconjR). This study revealed that an enhanced inhibitory activity of polyphenols is mainly conditioned by stabilization of molecule due to intramolecular electron and charge delocalization.
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页码：3984 / 3993
页数：9
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