Exploring the anticancer and antibacterial potential of naphthoquinone derivatives: a comprehensive computational investigation

This study investigates the potential of 2-(4-butylbenzyl)-3-hydroxynaphthalene-1,4-dione (11) and its 12 derivatives as anticancer and biofilm formation inhibitors for methicillin-resistant staphylococcus aureus using in silico methods. The study employed various computational methods, including mo...

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Detalhes bibliográficos

Principais autores:	Mehnaz Hossain Meem, Sumaiya Binte Yusuf, Sanaa S. Al Abbad, Shofiur Rahman, Mahmoud Al-Gawati, Hamad Albrithen, Abdullah N. Alodhayb, Kabir M. Uddin
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Frontiers Media S.A. 2024-02-01
coleção:	Frontiers in Chemistry
Assuntos:	naphthoquinone DFT ADMET molecular docking MD simulation PCA
Acesso em linha:	https://www.frontiersin.org/articles/10.3389/fchem.2024.1351669/full
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