Open AccessMonte Carlo Method Based QSAR Modeling of Coumarin Derivates as Potent HIV‐1 Integrase Inhibitors and Molecular Docking Studies of Selected 4‐phenyl Hydroxycoumarins
Author(s) -
Jovana B. Veselinović,
Aleksandar M. Veselinović,
Andrey A. Toropov,
Alla P. Toropova,
Ivana Damnjanović,
Goran M. Nikolić
Publication year - 2013
Publication title -
afmn biomedicine
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.151
H-Index - 8
eISSN - 3104-3135
pISSN - 3104-3127
DOI - 10.2478/afmnai-2014-0011
Subject(s) - integrase , quantitative structure–activity relationship , docking (animal) , integrase inhibitor , coumarin , computational biology , molecular descriptor , chemistry , test set , molecular model , monte carlo method , computational chemistry , human immunodeficiency virus (hiv) , stereochemistry , combinatorial chemistry , computer science , machine learning , mathematics , biology , biochemistry , organic chemistry , antiretroviral therapy , medicine , statistics , nursing , gene , viral load , immunology
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
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