The inhibitory activity of aldose reductase of flavonoid compounds: Combining DFT and QSAR calculations

The inhibitory activity of aldose reductase of flavonoid compounds: Combining DFT and QSAR calculations

The DFT-B3LYP method, with the base set 6-31G (d), was used to calculate several quantum chemical descriptors of 44 substituted flavonoids. The best descriptors were selected to establish the quantitative structure activity relationship (QSAR) of the inhibitory activity against aldose reductase usin...

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Bibliographic Details
Main Authors: Mounir Ghamali, Samir Chtita, Rachid Hmamouchi, Azeddine Adad, Mohammed Bouachrine, Tahar Lakhlifi
Format: Article
Language:English
Published: Taylor & Francis Group 2016-07-01
Series:Journal of Taibah University for Science
Subjects:
QSAR model
DFT study
Flavonoids
Aldose reductase
Artificial neural network
Online Access:http://www.sciencedirect.com/science/article/pii/S165836551500165X

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http://www.sciencedirect.com/science/article/pii/S165836551500165X

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