Abstract：
:Eugenol and its related compounds are major active constituents of essential oils and have been extensively used as food flavoring agents with significant lipid peroxidation inhibition activity, highlighting the importance of understanding detailed molecular mechanisms behind their interactions with lipid bilayer. For this, we studied antioxidant activity of essential oils rich extract of Cinnamomum tamala leaves and molecular dynamics simulations of eugenol, isoeugenol, methyleugenol, acetyleugenol and eugenol oxide in POPC and PLPC lipid bilayers. All the compounds penetrated into bilayer however, isoeugenol showed highest affinity for the pure POPC and PLPC bilayers with lowest free energy profiles, formed more H-bonds with bilayer oxygen atoms and more pronounced changes in area per lipid and thickness of the bilayer, thus more efficient for scavenging radicals coming from outside as well as centrally located lipid peroxyl radicals. These molecular interactions rationalize the difference in inhibition activities of lipid peroxidation by eugenol and its related compounds.
journal_name
Chem Phys Lipidsjournal_title
Chemistry and physics of lipidsauthors
Saha S,Verma RJdoi
10.1016/j.chemphyslip.2018.03.008subject
Has Abstractpub_date
2018-07-01 00:00:00pages
76-87eissn
0009-3084issn
1873-2941pii
S0009-3084(17)30286-4journal_volume
213pub_type
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