Evidence for a Mechanism by Which ω-3 Polyunsaturated Lipids May Affect Membrane Protein Function

Carrillo‐Tripp, Mauricio; Feller, Scott E.

doi:10.1021/bi050822e

Cited by 84 publications

(81 citation statements)

References 33 publications

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“…This may be explained by the fact that highly polyunsaturated fats have high level of dynamic motion and flexibility since they have more bisallylic bonds (those that occur on either side of the multiple double bonds present in highly polyunsaturated molecules). This can create high lateral pressures in the immediate environment of these acyl chains that may impinge upon the properties of neighbouring proteins and other lipids in the membrane (Carrillo-Tripp and Feller, 2005). In this case, the present study suggests that all classes of phospholipids are likely to be involved in determining the physical properties of the membrane and any associated change in metabolism.…”

Section: Discussionmentioning

confidence: 74%

Systematic differences in membrane acyl composition associated with varying body mass in mammals occur in all phospholipid classes: an analysis of kidney and brain

Nealon

Blanksby

Mitchell

et al. 2008

Journal of Experimental Biology

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SUMMARYThe acyl composition of membrane phospholipids in kidney and brain of mammals of different body mass was examined. It was hypothesized that reduction in unsaturation index (number of double bonds per 100 acyl chains) of membrane phospholipids with increasing body mass in mammals would be made-up of similar changes in acyl composition across all phospholipid classes and that phospholipid class distribution would be regulated and similar in the same tissues of the different-sized mammals. The results of this study supported both hypotheses. Differences in membrane phospholipid acyl composition (i.e. decreased omega-3 fats, increased monounsaturated fats and decreased unsaturation index with increasing body size) were not restricted to any specific phospholipid molecule or to any specific phospholipid class but were observed in all phospholipid classes. With increase in body mass of mammals both monounsaturates and use of less unsaturated polyunsaturates increases at the expense of the long-chain highly unsaturated omega-3 and omega-6 polyunsaturates, producing decreases in membrane unsaturation. The distribution of membrane phospholipid classes was essentially the same in the different-sized mammals with phosphatidylcholine (PC) and phosphatidylethanolamine (PE) together constituting ~91% and ~88% of all phospholipids in kidney and brain, respectively. The lack of sphingomyelin in the mouse tissues and higher levels in larger mammals suggests an increased presence of membrane lipid rafts in larger mammals. The results of this study support the proposal that the physical properties of membranes are likely to be involved in changing metabolic rate. Supplementary material available online at

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Section: Discussionmentioning

confidence: 74%

Systematic differences in membrane acyl composition associated with varying body mass in mammals occur in all phospholipid classes: an analysis of kidney and brain

Nealon

Blanksby

Mitchell

et al. 2008

Journal of Experimental Biology

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“…Although no quantitative experimental data is available to confirm our result, the profile of our model seems very reasonable; it shows the qualitative features obtained from experiments performed on similar systems, 9 and both shape and magnitude are consistent with AL simulation data. [30][31][32][33][34][35][36] We then analyzed our simulation according to the elasticity theory developed by Helfrich. [16][17][18] The Helfrich formula, valid both for a monolayer and a bilayer, characterizes the spontaneous shape of interfaces, and it predicts the stored energies that accumulate as a result of deviations from the spontaneous shape.…”

Section: Discussionmentioning

confidence: 99%

“…The choice of a 2 fs time step in the AL run is typical for AL membrane simulations. 19,[26][27][28][29][30][31][32][34][35][36] We are aware that the use of constraint and multistep algorithms can allow time steps of 4 21,22 and even 5 fs, 20,23 hence more than twice larger than that employed in our test. Using a 5 fs time step in the AL run would bring the CG speed-up factor down to ≈50.…”

Section: Methodsmentioning

confidence: 99%

A Quantitative Coarse-Grain Model for Lipid Bilayers

et al. 2007

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A simplified particle-based computer model for hydrated phospholipid bilayers has been developed and applied to quantitatively predict the major physical features of fluid-phase biomembranes. Compared with available coarse-grain methods, three novel aspects are introduced. First, the main electrostatic features of the system are incorporated explicitly via charges and dipoles. Second, water is accurately (yet efficiently) described, on an individual level, by the soft sticky dipole model. Third, hydrocarbon tails are modeled using the anisotropic Gay-Berne potential. Simulations are conducted by rigid-body molecular dynamics. Our technique proves 2 orders of magnitude less demanding of computational resources than traditional atomic-level methodology. Self-assembled bilayers quantitatively reproduce experimental observables such as electron density, compressibility moduli, dipole potential, lipid diffusion, and water permeability. The lateral pressure profile has been calculated, along with the elastic curvature constants of the Helfrich expression for the membrane bending energy; results are consistent with experimental estimates and atomic-level simulation data. Several of the results presented have been obtained for the first time using a coarse-grain method. Our model is also directly compatible with atomic-level force fields, allowing mixed systems to be simulated in a multiscale fashion.

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“…We suggest that the effects of DHA on rhodopsin are to make the transitions between helix orientations (e.g., the kink changes in Helices 5 and 6) much easier and thus to support the nature of the large scale changes underlying function in this system. [124][125][126][127] …”

Section: Effect Of the Membrane Environmentmentioning

confidence: 99%

How a small change in retinal leads to G‐protein activation: Initial events suggested by molecular dynamics calculations

Stevens

Woolf

2006

Proteins

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Rhodopsin is the prototypical G-protein coupled receptor, coupling light activation with high efficiency to signaling molecules. The dark-state X-ray structures of the protein provide a starting point for consideration of the relaxation from initial light activation to conformational changes that may lead to signaling. In this study we create an energetically unstable retinal in the light activated state and then use molecular dynamics simulations to examine the types of compensation, relaxation, and conformational changes that occur following the cis-trans light activation. The results suggest that changes occur throughout the protein, with changes in the orientation of Helices 5 and 6, a closer interaction between Ala 169 on Helix 4 and retinal, and a shift in the Schiff base counterion that also reflects changes in sidechain interactions with the retinal. Taken together, the simulation is suggestive of the types of changes that lead from local conformational change to light-activated signaling in this prototypical system.

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Evidence for a Mechanism by Which ω-3 Polyunsaturated Lipids May Affect Membrane Protein Function

Cited by 84 publications

References 33 publications

Systematic differences in membrane acyl composition associated with varying body mass in mammals occur in all phospholipid classes: an analysis of kidney and brain

Systematic differences in membrane acyl composition associated with varying body mass in mammals occur in all phospholipid classes: an analysis of kidney and brain

A Quantitative Coarse-Grain Model for Lipid Bilayers

How a small change in retinal leads to G‐protein activation: Initial events suggested by molecular dynamics calculations

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