Design of new molecules against cervical cancer using DFT, theoretical spectroscopy, 2D/3D-QSAR, molecular docking, pharmacophore and ADMET investigations

Cervical cancer is a major health problem of women. Hormone therapy, via aromatase inhibition, has been proposed as a promising way of blocking estrogen production as well as treating the progression of estrogen-dependent cancer. To overcome the challenging complexities of costly drug design, in-sil...

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Autors principals:	Said El Rhabori, Abdellah El Aissouq, Ossama Daoui, Souad Elkhattabi, Samir Chtita, Fouad Khalil
Format:	Artigo
Idioma:	Inglês
Publicat:	Elsevier 2024-02-01
Col·lecció:	Heliyon
Matèries:	Cervical cancer QSAR DFT Molecular docking Pharmacophore ADMET
Accés en línia:	http://www.sciencedirect.com/science/article/pii/S2405844024005826
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