Structure and Elasticity
of Lipid Membranes with Genistein
and Daidzein Bioflavinoids Using X-ray Scattering and MD Simulations
Version 3 2018-02-09, 16:08
Version 2 2017-10-17, 11:33
Version 1 2016-02-21, 15:37
Posted on 2018-02-09 - 16:08
This work reports the effects of the bioflavinoids genistein
and
daidzein on lipid bilayers as determined by volume measurements, X-ray
scattering, and molecular dynamics simulations. The experimental and
simulated total molecular volumes were found to be in outstanding
agreement with each other before the addition of genistein and daidzein
and also after their addition. Both bioflavinoids inserted into the
hydrocarbon region of both DOPC and diphytanoylPC near the carbonyls
of the lipids and both decreased the bilayer thicknesses. The long
axes of both bioflavinoids were oriented nearly parallel to the plane
of the bilayer with their carbonyl groups preferentially pointed toward
the proximal surface. A difference is that daidzein had a solubility
limit of ∼0.14 mol fraction in DOPC (∼0.12 mol fraction
in diphytanoylPC), whereas genistein was soluble at least to 0.20
mol fraction in both lipid membranes. Measurements of bending modulus KC and simulation results for area compressibility
modulus KA indicate that both bioflavinoids
soften bilayers.
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Raghunathan, Mohit; Zubovski, Yuriy; Venable, Richard M.; Pastor, Richard
W.; Nagle, John F.; Tristram-Nagle, Stephanie (2016). Structure and Elasticity
of Lipid Membranes with Genistein
and Daidzein Bioflavinoids Using X-ray Scattering and MD Simulations. ACS Publications. Collection. https://doi.org/10.1021/jp211904j
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AUTHORS (6)
MR
Mohit Raghunathan
YZ
Yuriy Zubovski
RV
Richard M. Venable
RP
Richard
W. Pastor
JN
John F. Nagle
ST
Stephanie Tristram-Nagle
KEYWORDS
modulus K C0.20 mol fractionarea compressibility modulus KLipid Membranesdaidzeinsimulation resultsbilayer thicknessesvolume measurementslipid membranessolubility limitDOPClipid bilayersMD Simulationsbioflavinoids genisteinX-ray Scatteringhydrocarbon regionDaidzein Bioflavinoidswork reportsdynamics simulationscarbonyl groupsdiphytanoylPC