http://hdl.handle.net/20.500.12128/13222
Title: | The effect of β-cyclodextrin on the Formation of Phospholipid Micelles: A Molecular Dynamics Simulation Study |
Authors: | Makieła, Damian Górny, K. Gburski, Zygmunt |
Keywords: | Molecular dynamics; Phospholipids; Oligosacharides; Computer simulation |
Issue Date: | 2019 |
Citation: | Acta Physica Polonica A, Vol. 136, iss. 3 (2019), s. 542-547 |
Abstract: | Using the molecular dynamics simulation method we studied the aqueous solution ofβ-cyclodextrin and1,2-dimyristoyl-sn-glycero-3phosphocholine (DMPC) molecules. We observed that in water environment DMPCmolecules form a “core” surrounded byβ-cyclodextrins which stick to the surface of DMPC core. The developedβ-cyclodextrin shell (corona) might facilitate the transport of DMPC cluster in bioenvironment. Moreover somesmaller binary complexes, composed of only single pair ofβ-cyclodextrin and DMPC were detected. Our simulationsshowed thatβ-cyclodextrin do not influence the structure of lipid aggregates and should not negatively interferethe liposomal drug delivery systems. |
URI: | http://hdl.handle.net/20.500.12128/13222 |
DOI: | 10.12693/APhysPolA.136.542 |
ISSN: | 0587-4246 1898-794X |
Appears in Collections: | Artykuły (WNŚiT) |
File | Description | Size | Format | |
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Makiela_The_effect_of_β_cyclodextrin.pdf | 2,01 MB | Adobe PDF | View/Open |
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