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

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 followed by...

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Bibliographic Details
Main Authors: Camila da Câmara Lopes, Maria Angélica Bonfim Oliveira, Regiane de Cássia M. U. de Araújo, 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
DFT
Docking
Online Access:https://periodicos.ufms.br/index.php/orbital/article/view/15590

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