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.

Afiliación

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 en En | MEDLINE | ID: mdl-32460177

Asunto(s)

Antineoplásicos Fitogénicos/química; Antineoplásicos Fitogénicos/farmacología; Cupressus/química; Flavonoides/química; Flavonoides/farmacología; Antineoplásicos Fitogénicos/aislamiento & purificación; Línea Celular Tumoral; Supervivencia Celular/efectos de los fármacos; Teoría Funcional de la Densidad; Flavonoides/aislamiento & purificación; Humanos; Simulación del Acoplamiento Molecular; Neoplasias/tratamiento farmacológico; Hojas de la Planta/química

Palabras clave

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

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Flavonoides / Cupressus / Antineoplásicos Fitogénicos Tipo de estudio: Diagnostic_studies Límite: Humans Idioma: En Revista: Bioorg Chem Año: 2020 Tipo del documento: Article Pais de publicación: Estados Unidos

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