Contrasting binding of fisetin and daidzein in γ-cyclodextrin nanocavity
نویسندگان
چکیده
منابع مشابه
Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes
In the present study, our aim is to investigate the preferential binding mode and encapsulation of the flavonoid fisetin in the nano-pore of β-cyclodextrin (β-CD) at the molecular level using various theoretical approaches: molecular docking, molecular dynamics (MD) simulations and binding free energy calculations. The molecular docking suggested four possible fisetin orientations in the cavity...
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ژورنال
عنوان ژورنال: Journal of Photochemistry and Photobiology B: Biology
سال: 2013
ISSN: 1011-1344
DOI: 10.1016/j.jphotobiol.2012.10.010