Interaction of wine anthocyanin derivatives with lipid bilayer membranes
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F16%3A33161450" target="_blank" >RIV/61989592:15310/16:33161450 - isvavai.cz</a>
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S2210271X15004405" target="_blank" >http://www.sciencedirect.com/science/article/pii/S2210271X15004405</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.comptc.2015.10.034" target="_blank" >10.1016/j.comptc.2015.10.034</a>
Alternative languages
Result language
angličtina
Original language name
Interaction of wine anthocyanin derivatives with lipid bilayer membranes
Original language description
This work deals with the capacity of various anthocyanin derivatives to insert lipid bilayer membrane. Malvidin-3-O-glucoside was studied in its various charge forms (flavylium cation, neutral and anionic quinonoid bases) as well as its deglycosylated, hydrated and conjugated derivatives. Based on molecular dynamics (MD) and COSMOmic simulations, membrane partitioning and crossing were evaluated. The free MD simulations provided molecular description of all intermolecular interactions driving penetration and orientation of these polyphenols in a model of DOPC lipid bilayer. Most of the derivatives are theoretically predicted to insert rather deep in the membrane i.e., embedded in between lipid chains, therefore being prone to scavenge both the initiation and propagation stages of lipid peroxidation. Here we also stress again the importance of the method used to evaluate atomic charge distribution to allow a correct description of membrane penetration.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Computational and Theoretical Chemistry
ISSN
2210-271X
e-ISSN
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Volume of the periodical
1077
Issue of the periodical within the volume
FEB
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
7
Pages from-to
80-86
UT code for WoS article
000370305400012
EID of the result in the Scopus database
2-s2.0-84958627785