In silico Studies Combining QSAR Models, DFT-based Reactivity Descriptors and Docking Simulations of Phthalimide Congeners with Hypolipidemic Activity

In silico Studies Combining QSAR Models, DFT-based Reactivity Descriptors and Docking Simulations of Phthalimide Congeners with Hypolipidemic Activity

<p>In this current study, a selected group of physicochemical descriptors extracted from the formalism of the density functional theory were used for modeling a series of phthalimide congeners with tested hypolipidemic activity once. Based on unsupervised pattern recognition of HCA and PCA fol...

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Bibliographic Details
Main Authors: Maria Angélica Oliveira, Regiane de Cássia M. U. Araújo, Camila da Câmara Lopes, Boaz Galdino de Oliveira
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2021-07-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
phthalimide
hypolipidemic
qsar
fukui
docking
Online Access:http://orbital.ufms.br/index.php/Chemistry/article/view/1493

Internet

http://orbital.ufms.br/index.php/Chemistry/article/view/1493

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