Cholesterol packing around lipids with saturated and unsaturated chains : a simulation study

The fundamental role of cholesterol in the regulation of eukaryotic membrane structure is well-established. However the manner in which atomic level interactions between cholesterol and lipids, with varying degrees of chain unsaturation and polar groups, affect the overall structure and organization...

Ausführliche Beschreibung

Bibliographische Detailangaben
Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1985. - 24(2008), 13 vom: 01. Juni, Seite 6858-65
1. Verfasser: Pandit, Sagar A (VerfasserIn)
Weitere Verfasser: Chiu, See-Wing, Jakobsson, Eric, Grama, Ananth, Scott, H L
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2008
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article Research Support, N.I.H., Extramural Research Support, U.S. Gov't, Non-P.H.S. Lipid Bilayers Phosphatidylcholines Water 059QF0KO0R 1,2-Dipalmitoylphosphatidylcholine 2644-64-6 Cholesterol mehr... 97C5T2UQ7J 1,2-oleoylphosphatidylcholine EDS2L3ODLV 1-palmitoyl-2-oleoylphosphatidylcholine TE895536Y5
LEADER 01000caa a22002652c 4500
001 NLM179925032
003 DE-627
005 20250714141937.0
007 cr uuu---uuuuu
008 231223s2008 xx |||||o 00| ||eng c
024 7 |a 10.1021/la8004135  |2 doi 
028 5 2 |a pubmed25n1423.xml 
035 |a (DE-627)NLM179925032 
035 |a (NLM)18517226 
040 |a DE-627  |b ger  |c DE-627  |e rakwb 
041 |a eng 
100 1 |a Pandit, Sagar A  |e verfasserin  |4 aut 
245 1 0 |a Cholesterol packing around lipids with saturated and unsaturated chains  |b a simulation study 
264 1 |c 2008 
336 |a Text  |b txt  |2 rdacontent 
337 |a ƒaComputermedien  |b c  |2 rdamedia 
338 |a ƒa Online-Ressource  |b cr  |2 rdacarrier 
500 |a Date Completed 15.08.2008 
500 |a Date Revised 29.05.2025 
500 |a published: Print-Electronic 
500 |a Citation Status MEDLINE 
520 |a The fundamental role of cholesterol in the regulation of eukaryotic membrane structure is well-established. However the manner in which atomic level interactions between cholesterol and lipids, with varying degrees of chain unsaturation and polar groups, affect the overall structure and organization of the bilayer is only beginning to be understood. In this paper we describe a series of Molecular Dynamics simulations designed to provide new insights into lipid-cholesterol interactions as a function of chain unsaturation. We have run simulations of varying concentrations of cholesterol in dipalmitoyl phosphatidylcholine (DPPC), palmitoyl-oleyol phosphatidylcholine (POPC), and dioleyol phosphatidylcholine (DOPC) bilayers. Structural analysis of the simulations reveals both atomistic and systemic details of the interactions and are presented here. In particular, we find that the minimum partial molecular area of cholesterol occurs in POPC-Chol mixtures implying the most favorable packing. Physically, this appears to be related to the fact that the two faces of the cholesterol molecule are different from each other and that the steric cross section of cholesterol molecules drops sharply near the small chain tails 
650 4 |a Journal Article 
650 4 |a Research Support, N.I.H., Extramural 
650 4 |a Research Support, U.S. Gov't, Non-P.H.S. 
650 7 |a Lipid Bilayers  |2 NLM 
650 7 |a Phosphatidylcholines  |2 NLM 
650 7 |a Water  |2 NLM 
650 7 |a 059QF0KO0R  |2 NLM 
650 7 |a 1,2-Dipalmitoylphosphatidylcholine  |2 NLM 
650 7 |a 2644-64-6  |2 NLM 
650 7 |a Cholesterol  |2 NLM 
650 7 |a 97C5T2UQ7J  |2 NLM 
650 7 |a 1,2-oleoylphosphatidylcholine  |2 NLM 
650 7 |a EDS2L3ODLV  |2 NLM 
650 7 |a 1-palmitoyl-2-oleoylphosphatidylcholine  |2 NLM 
650 7 |a TE895536Y5  |2 NLM 
700 1 |a Chiu, See-Wing  |e verfasserin  |4 aut 
700 1 |a Jakobsson, Eric  |e verfasserin  |4 aut 
700 1 |a Grama, Ananth  |e verfasserin  |4 aut 
700 1 |a Scott, H L  |e verfasserin  |4 aut 
773 0 8 |i Enthalten in  |t Langmuir : the ACS journal of surfaces and colloids  |d 1985  |g 24(2008), 13 vom: 01. Juni, Seite 6858-65  |w (DE-627)NLM098181009  |x 1520-5827  |7 nnas 
773 1 8 |g volume:24  |g year:2008  |g number:13  |g day:01  |g month:06  |g pages:6858-65 
856 4 0 |u http://dx.doi.org/10.1021/la8004135  |3 Volltext 
912 |a GBV_USEFLAG_A 
912 |a SYSFLAG_A 
912 |a GBV_NLM 
912 |a GBV_ILN_22 
912 |a GBV_ILN_350 
912 |a GBV_ILN_721 
951 |a AR 
952 |d 24  |j 2008  |e 13  |b 01  |c 06  |h 6858-65