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A threefold approach including quantum chemical, molecular docking and molecular dynamic studies to explore the natural compounds from Centaurea jacea as the potential inhibitors for COVID-19

Muhammad, S; Maqbool, M F; Al-Sehemi, A G; Iqbal, A; Khan, M; Ullah, S; Khan, M T.
Braz. j. biol; 83 (), 2023
Abstract In the current report, we studied the possible inhibitors of COVID-19 from bioactive constituents of Centaurea jacea using a threefold approach consisting of quantum chemical, molecular docking and molecular dynamic techniques. Centaurea jacea is a perennial herb often used in folk medicines of ...
COVID-19, Centaurea, Simulación del Acoplamiento Molecular, Simulación de Dinámica Molecular, Preparaciones Farmacéuticas, Inhibidores de Proteasas, SARS-CoV-2
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Assessment of Antioxidant and Cytotoxic Activities and Identification of Phenolic Compounds of Centaurea solstitialis and Urospermum picroides from Turkey

Alper, Mehlika; Özay, Cennet; Güneş, Hatice; Mammadov, Ramazan.
Braz. arch. biol. technol; 64 (), 2021
HIGHLIGHTS The phenolic composition, antioxidant activity and cytotoxic potential of the extracts of C. solstitialis and U. picroides were investigated. Caffeic acid was found as the most abundant phenolic compound in the extracts. Both species showed promising antioxidant activity towards different...
Antioxidantes/farmacología, Asteraceae/química, Centaurea/química, Compuestos Fenólicos/análisis, Ácidos Cafeicos/farmacología, Fenoles/farmacología, Extractos Vegetales/farmacología, Cromatografía Líquida de Alta Presión, Turquía, Plantas Medicinales, Citotoxinas/farmacología, Células HEK293
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