Ergosterol-Induced Ordered Phase in Ternary Lipid Mixture Systems of Unsaturated and Saturated Phospholipid Membranes

Bui, Tham Thi; Suga, Kazuyoshi; Umakoshi, Hiroshi

doi:10.1021/acs.jpcb.9b03413

Cited by 14 publications

(28 citation statements)

References 63 publications

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“…This result is also in accordance with the fluorescence experiments, showing that the effect of ergosterol is less pronounced both in rigidifying fluid membranes and fluidizing gel phase membranes [46]. The higher impact of cholesterol on dynamics has also been reported in the fluorescence experiment on the binary and ternary systems including DPPC and sterols via fluidity measurements [38,42]. The results proposed here are, however, contrary to the quasi-elastic neutron scattering experiment, showing that ergosterol has a lower lateral diffusion coefficient compared to cholesterol [64].…”

Section: Fluidity Of the Lipidssupporting

confidence: 89%

“…The outcome of these studies, however, are not in agreement with one another [6,15,16,18,22,24,39,40,[42][43][44][45][46][47][48]. A similar disagreement is also observed at the ternary level [33,35,38].…”

Section: Introductionmentioning

confidence: 59%

“…In this paper we inspect this hypothesis and will see how these extra double bonds can affect the planarity of the ring part. Furthermore, it has been shown that ergosterol also promotes the formation of the L o phase [5,23,33,38], and is nearly as effective as cholesterol in this respect [5,33,[39][40][41][42].…”

Section: Introductionmentioning

confidence: 99%

“…Another MD simulation study simulated multi-component bilayers and it was revealed that membranes containing ergosterol have a lower compressibility modulus than the models with cholesterol, although other properties such as are per lipid and the tilt angle were not statistically different [49]. Also very recently, using fluorescence probes it was shown that cholesterol decreases the membrane fluidity in DOPC/DPPC/sterol systems more effectively than ergosterol [38]. There are further experimental studies, which are in accordance with the higher effect of cholesterol in terms of condensing effects [21,46,47,47,48].…”

Section: Introductionmentioning

confidence: 99%

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Effect of Cholesterol vs. Ergosterol on DPPC Bilayer Properties: Insights from Atomistic Simulations

Alavizargar¹,

Keller²,

Heuer³

2020

Preprint

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Cholesterol and ergosterol are two dominant sterols in the membranes of eukaryotic and yeast cells, respectively. Although their chemical structure is very similar, their impact on the structure and dynamics of membranes differs. In this work, we have explored the effect of these two sterols on binary mixtures with 1,2-dipalnitoyl-sn-glycerol-3-phosphocholine (DPPC) lipid bilayer at various sterol concentration and temperatures, employing molecular dynamics simulations. The simulations revealed that cholesterol has a stronger impact on the ordering of the lipid chains and leads to more condensed membranes with respect to ergosterol. This difference likely arises from a more planar structure of the ring part as well as the better alignment of cholesterol among the DPPC chains with respect to ergosterol. The degree of the planarity of the ring system affects the orientation of the methyl groups on the rough side and distribute the lipid chains on the two sides of the sterols differently. Similar to the structural observations, cholesterol also has a stronger influence on the dynamics, and consistently, establishes stronger DPPC-sterol interactions when compared to ergosterol. Although our findings are consistent with some previous simulations as well as recent experiments, they are at odds with some other studies. Therefore, the presented results may shed new lights on the impact of sterols on the saturated lipids bilayers with implications for binary mixtures of lipids as well as lipid rafts.SignificanceCholesterol and ergosterol are crucial lipid molecules of eukaryotic and prokaryotic cells, respectively, with an important role for the characteristics of the membranes. Surprisingly, many experimental studies have reported opposing results concerning their relative impact. Our work aims to understand the molecular mechanism behind the influence of these sterols on the properties of saturated DPPC chains via a systematic computational approach at atomic resolution. The results show that cholesterol has a higher impact on the ordering, condensing and dynamics of the lipid chains and closely interact with them due to its more planar structure as compared to ergosterol. These effects can have implications in lipid rafts and the interaction of therapeutic drugs with membranes.

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Section: Fluidity Of the Lipidssupporting

confidence: 89%

Section: Introductionmentioning

confidence: 59%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Effect of Cholesterol vs. Ergosterol on DPPC Bilayer Properties: Insights from Atomistic Simulations

Alavizargar¹,

Keller²,

Heuer³

2020

Preprint

View full text Add to dashboard Cite

show abstract

“…Erg, dominant in lower Eukaryotes and insects 1,16) , has two additional double bonds in B ring and tail, and an additional methyl group at C24 carbon atom in tail. As results, Erg lead to almost no ordering effect in the bilayer composed of unsaturated phosphocholine (PC) 14) , while Erg shows a potent ordering effect in the membrane enriched saturated lipids 15,17,18) .…”

Section: Introductionmentioning

confidence: 90%