2021
DOI: 10.1021/acs.jpcb.1c03528
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Effect of Cholesterol Versus Ergosterol on DPPC Bilayer Properties: Insights from Atomistic Simulations

Abstract: Sterols have been ascribed a major role in the organization of biological membranes, in particular for the formation of liquid ordered domains in complex lipid mixtures. Here, we employed molecular dynamics simulations to compare the effects of cholesterol and ergosterol as the major sterol of mammalian and fungal cells, respectively, on binary mixtures with 1,2-dipalmitoyl-sn-glycero-3phosphocholine (DPPC) as a proxy for saturated lipids. In agreement with previous work, we observe that the addition of sterol… Show more

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Cited by 11 publications
(11 citation statements)
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“…The higher bilayer thickness of DPPC-rich L o regions can be attributed to the presence of cholesterol, which disrupts the lipid tilt. 43 Although the presence of two phases was evident in the SAXS region, they could not be clearly resolved from the WAXS diffraction pattern (Fig. 4d), thus preventing an accurate estimation of the respectively, in good agreement with previous reports (~67Å 2 and 52 Å 2 for L d and L o regions).…”
Section: Resultssupporting
confidence: 88%
“…The higher bilayer thickness of DPPC-rich L o regions can be attributed to the presence of cholesterol, which disrupts the lipid tilt. 43 Although the presence of two phases was evident in the SAXS region, they could not be clearly resolved from the WAXS diffraction pattern (Fig. 4d), thus preventing an accurate estimation of the respectively, in good agreement with previous reports (~67Å 2 and 52 Å 2 for L d and L o regions).…”
Section: Resultssupporting
confidence: 88%
“…The higher bilayer thickness of DPPC-rich L o regions can be attributed to the presence of cholesterol, which disrupts the lipid tilt. 49 Although the presence of two phases was evident in the SAXS region, they could not be clearly resolved from the WAXS diffraction pattern (Fig. 4d), thus preventing an accurate estimation of the lipid-lipid dis- respectively, in good agreement with previous reports (~67Å 2 and 52 Å 2 for L d and L o regions).…”
Section: Combined Xrd/flim Characterization Of Ternary Lipid Mixtures...supporting
confidence: 86%
“…A tetracyclic fused ring along with a flexible hydrocarbon side chain helps to attract phospholipid acyl chains. As a result, an ordered structure is formed, which is strongly stabilized by the van der Waals cohesive interactions between the sterol rings of Chol molecules and the alkyl chains of DPPC [ 31 , 40 ]. Therefore, the presence of Chol molecules has a condensing effect on the DPPC and DPPC + MPs monolayers.…”
Section: Resultsmentioning
confidence: 99%