Oxidation of cholesterol does not alter significantly its uptake into high-density lipoprotein particles
Jazyk angličtina Země Spojené státy americké Médium print-electronic
Typ dokumentu časopisecké články, práce podpořená grantem
PubMed
25768721
DOI
10.1021/acs.jpcb.5b00240
Knihovny.cz E-zdroje
- MeSH
- cholesterol chemie MeSH
- ketocholesteroly chemie MeSH
- lipoproteiny HDL chemie MeSH
- oxidace-redukce MeSH
- rozpouštědla chemie MeSH
- roztoky MeSH
- simulace molekulární dynamiky MeSH
- voda chemie MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- 7-ketocholesterol MeSH Prohlížeč
- cholesterol MeSH
- ketocholesteroly MeSH
- lipoproteiny HDL MeSH
- rozpouštědla MeSH
- roztoky MeSH
- voda MeSH
Using replica exchange umbrella sampling we calculated free energy profiles for uptake of cholesterol and one of its oxysterols (7-ketocholesterol) from an aqueous solution into a high-density lipoprotein particle. These atomistic molecular dynamics simulations show that both sterols are readily taken up from the aqueous solution with comparable free energy minima at the surface of the particle of -17 kcal/mol for cholesterol and -14 kcal/mol for 7-ketocholesterol. Moreover, given its preferred position at the particle surface, 7-ketocholesterol is expected to be able to participate directly in biological signaling processes.
§MEMPHYS Center for Biomembrane Physics University of Southern Denmark DK 5230 Odense Denmark
†Department of Physics Tampere University of Technology P O Box 692 FI 33101 Tampere Finland
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