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

Content Provider	Springer Nature Link
Author	Rastija, Vesna Bešlo, Drago Nikolić, Sonja
Copyright Year	2011
Abstract	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.
Starting Page	3984
Ending Page	3993
Page Count	10
File Format	PDF
ISSN	10542523
Journal	Medicinal Chemistry Research
Volume Number	21
Issue Number	12
e-ISSN	15548120
Language	English
Publisher	Springer-Verlag
Publisher Date	2011-12-22
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Polyphenols α-Glucosidase Inhibitory activity QSAR Biochemistry Pharmacology/Toxicology Cell Biology
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Pharmacology, Toxicology and Pharmaceutics

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