DFT calculations and POM analyses of cytotoxicity of some flavonoids from aerial parts of Cupressus sempervirens: Docking and identification of pharmacophore sites.

Elsharkawy, Eman R; Almalki, Faisal; Ben Hadda, Taibi; Rastija, Vesna; Lafridi, Hind; Zgou, Hsaine

Elsharkawy, Eman R; Almalki, Faisal; Ben Hadda, Taibi; Rastija, Vesna; Lafridi, Hind; Zgou, Hsaine.

Afiliação

Elsharkawy ER; Chemistry Department, Faculty of Science, Northern Borders University, Arar, Saudi Arabia; Ecophysiology Unit, Plant Ecology and Ranges Department, Desert Research Center, Cairo, Egypt. Electronic address: elsharqawyeman2017@gmail.com.
Almalki F; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm AlQura University, Makkah 21955, Saudi Arabia. Electronic address: malkifaisal2@gmail.com.
Ben Hadda T; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm AlQura University, Makkah 21955, Saudi Arabia; Laboratory of Applied Chemistry & Environment, Faculty of Sciences, Mohammed Premier University, MB 524, 60000 Oujda, Morocco. Electronic address: taibi.ben.hadda@gmail.com.
Rastija V; Department of Agroecology and Environmental Protection, Faculty of Agrobiotehnical Sciences Osijek, Josip Juraj Strossmayer University of Osijek, Vladimira Preloga 1, Osijek, Croatia. Electronic address: vrastija@fazos.hr.
Lafridi H; Material Sciences, Processes, Environment & Modeling, Polydisciplinary Faculty, Ibn Zohr University, Ouarzazate, Morocco; Ibn Zohr University, Faculty of Sciences, B.P. 8106, 80090 Agadir, Morocco. Electronic address: lafridi.hind@gmail.com.
Zgou H; Ibn Zohr University, Faculty of Sciences, B.P. 8106, 80090 Agadir, Morocco. Electronic address: zgouhsaine@gmail.com.

Bioorg Chem ; 100: 103850, 2020 07.

Article em En | MEDLINE | ID: mdl-32460177

Assuntos

Antineoplásicos Fitogênicos/química; Antineoplásicos Fitogênicos/farmacologia; Cupressus/química; Flavonoides/química; Flavonoides/farmacologia; Antineoplásicos Fitogênicos/isolamento & purificação; Linhagem Celular Tumoral; Sobrevivência Celular/efeitos dos fármacos; Teoria da Densidade Funcional; Flavonoides/isolamento & purificação; Humanos; Simulação de Acoplamento Molecular; Neoplasias/tratamento farmacológico; Folhas de Planta/química

Palavras-chave

And docking analyses; Cupressus sempervirens; Cytotoxic activity; Density functional theory (DFT); Petra/Osiris/Molinspiration (POM); Polyphenols

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Flavonoides / Cupressus / Antineoplásicos Fitogênicos Tipo de estudo: Diagnostic_studies Limite: Humans Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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