Monte Carlo Method Based QSAR Modeling of Coumarin Derivates as Potent HIV‐1 Integrase Inhibitors and Molecular Docking Studies of Selected 4‐phenyl Hydroxycoumarins

Monte Carlo Method Based QSAR Modeling of Coumarin Derivates as Potent HIV‐1 Integrase Inhibitors and Molecular Docking Studies of Selected 4‐phenyl Hydroxycoumarins

In search for new and promising coumarin compounds as HIV-1 integrase inhibitors, chemoinformatic methods like quantitative structure-activity relationships (QSAR) modeling and molecular docking have an important role since they can predict desired activity and propose molecule binding to enzyme.

Bibliographic Details
Main Authors: Veselinović Jovana, Veselinović Aleksandar, Toropov Andrey, Toropova Alla, Damnjanović Ivana, Nikolić Goran
Format: Article
Language:English
Published: Sciendo 2014-06-01
Series:Acta Facultatis Medicae Naissensis
Subjects:
coumarins
HIV-1 integrase inhibition
QSAR
molecular docking
Online Access:http://www.degruyter.com/view/j/afmnai.2014.31.issue-2/afmnai-2014-0011/afmnai-2014-0011.xml?format=INT

Internet

http://www.degruyter.com/view/j/afmnai.2014.31.issue-2/afmnai-2014-0011/afmnai-2014-0011.xml?format=INT

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