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231225s2021 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.1c01613
|2 doi
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|a pubmed24n1103.xml
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|a eng
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| 100 |
1 |
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|a Ni, Song-Di
|e verfasserin
|4 aut
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| 245 |
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|a Molecular Simulation Studies on the Interactions of Bilirubin at Different States with a Lipid Bilayer
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|c 2021
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 21.10.2021
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|a Date Revised 21.10.2021
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a The unconjugated bilirubin (BR) may penetrate through the cell membrane and cause a severe cytotoxicity. However, the molecular mechanism underlying the penetration of BR into the cell membrane is still largely unknown. In this work, we systematically investigate the interaction of BR and a lipid bilayer under different conditions by using all-atom molecular dynamics simulations. It is found that BR at the Z,Z conformation can easily enter into the interior of the lipid bilayer due to its hydrophobicity. However, when BR transforms from the Z,Z conformation to the E,E conformation (after the blue-light emission), its penetration ability is greatly reduced (especially at its ionized state). This study may offer useful physical insights into the effect of phototherapy on the penetration behavior and the cytotoxicity of the unconjugated BR
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Lipid Bilayers
|2 NLM
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|a Bilirubin
|2 NLM
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| 650 |
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|a RFM9X3LJ49
|2 NLM
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| 700 |
1 |
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|a Chen, Ya-Li
|e verfasserin
|4 aut
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|a Chen, Yuan-Qiang
|e verfasserin
|4 aut
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| 700 |
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|a Zhou, Kun
|e verfasserin
|4 aut
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|a Ding, Hong-Ming
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1999
|g 37(2021), 40 vom: 12. Okt., Seite 11707-11715
|w (DE-627)NLM098181009
|x 1520-5827
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|g volume:37
|g year:2021
|g number:40
|g day:12
|g month:10
|g pages:11707-11715
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|u http://dx.doi.org/10.1021/acs.langmuir.1c01613
|3 Volltext
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