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dc.contributor.authorSüzen, Sibel
dc.contributor.otherSaha,Sarmistha 
dc.contributor.otherPanieri,Emiliano 
dc.contributor.otherLuciano, Saso
dc.date.accessioned2020-03-17T13:52:50Z
dc.date.available2020-03-17T13:52:50Z
dc.date.issued2020
dc.identifier.urihttps://doi.org/10.1007/s0023 2-019-00105 -1tr_TR
dc.identifier.urihttp://hdl.handle.net/20.500.12575/70712
dc.description.abstractFlavonols are the most widely distributed class of dietary flavonoids with a wide range of pharmacological properties due to their potent lipid peroxidation inhibition activity. The permeability and orientation of these compounds in lipid bilayers can provide an understanding of their antioxidant and lipid-peroxidation inhibition activity based on their structures at the molecular level. For this purpose, we studied antioxidant activity and atomic-scale molecular dynamics simulations of 3-hydroxyflavone (fisetin), 5-hydroxyflavone (apigenin) and 3,5-hydroxyflavone (morin) in palmitoyloleylphosphatidylcholine (POPC) membrane models with 0 mol% and 40 mol% cholesterol concentration. In pure POPC bilayer with 0 mol% cholesterol concentration, the flavonols penetrated into bilayer with lowest free energy profiles, however, incorporation of 40% cholesterol concentration reduced the permeability of the flavonols. Higher cholesterol concentrations in the POPC lipid bilayer resulted in an increase of the bilayer thickness and corresponding decrease in the area per lipid which rationalizes the reduced partitioning of flavonols due to cholesterol. In the presence of cholesterol, the flavonols reside at the polar interfacial region of the lipid bilayer to form higher H-bonding interactions with cholesterol molecules in addition to water and lipid oxygens. Among all the selected flavonols, morin showed the highest affinity which was driven by the hydrophobic effect as also depicted by ITC (Isothermal titration calorimetry) experiments and thus, more efficient antioxidant in scavenging superoxide, nitric oxide radicals as well as lipid peroxyl radicals. Furthermore, our simulations also confirmed that the permeability of compounds is sensitive towards the cholesterol content in the membranetr_TR
dc.language.isoentr_TR
dc.relation.isversionof10.1007/s0023 2-019-00105 -1tr_TR
dc.subjectFlavonols tr_TR
dc.subjectPOPC tr_TR
dc.subjectCholesterol tr_TR
dc.subjectLipid peroxidation tr_TR
dc.subjectMolecular dynamics simulationstr_TR
dc.titleThe Interaction of Flavonols with Membrane Components: Potential Effect on Antioxidant Activitytr_TR
dc.typeArticletr_TR
dc.relation.journalThe Journal of Membrane Biologytr_TR
dc.contributor.departmentEczacılık Fakültesitr_TR
dc.identifier.startpage1tr_TR
dc.identifier.endpage15tr_TR
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıtr_TR
dc.identifier.issn/e-issn0376-7388


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