Molecular docking investigation of cytotoxic phenanthrene derivatives

Molecular docking investigation of cytotoxic phenanthrene derivatives

Our previous experimental work indicated that the presence of ester functionality in phenanthrene derivatives D-1 and D-2 leads to potent cytotoxicity against the Caco-2 cell line. The present work is based on th-is experimental result. First, we optimized the structures of the studied molecules usi...

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Bibliographic Details
Main Authors:	Guédouar, Habiba, Zaki, Hanane, Bouachrine, Mohammed, Aloui, Faouzi
Format:	Article
Language:	English
Published:	Académie des sciences 2020-11-01
Series:	Comptes Rendus. Chimie
Subjects:	Phenanthrene Cytotoxicity DFT calculations Molecular modeling Docking Proteins
Online Access:	https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.27/

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