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Interactions of a short hyaluronan chain with a phospholipid membrane
UTP Univ Sci & Technol, Inst Math & Phys, Al Kaliskiego 7, PL-85796 Bydgoszcz, Poland.;Friedrich Alexander Univ Erlangen Nurnberg, Inst Multiscale Simulat, IZNF Cauerstr 3, D-91058 Erlangen, Germany..
East Carolina Univ, Dept Phys, Greenville, NC 27858 USA..
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. RISE Research Institutes of Sweden, Box 5607, Stockholm, SE-114 86, Sweden.ORCID iD: 0000-0002-2288-819X
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. RISE Research Institutes of Sweden, Box 5607, Stockholm, SE-114 86, Sweden.ORCID iD: 0000-0002-3207-1570
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2019 (English)In: Colloids and Surfaces B: Biointerfaces, ISSN 0927-7765, E-ISSN 1873-4367, Vol. 184, article id 110539Article in journal (Refereed) Published
Abstract [en]

Hyaluronic acid and phospholipids are two components that are present in the synovial fluid, and both are implicated as important facilitators of joint lubrication. In this work we aim to clarify how hyaluronic acid interacts with a phospholipid bilayer through their molecular interactions at the bilayer surface. To this end we performed molecular dynamics simulations of one hyaluronic acid molecule at a phospholipid bilayer in aqueous solution. The simulations were carried out for two aqueous solutions of equal concentrations, containing either NaCl or CaCl2. We analyzed hydrogen bonds, hydrophobic contacts and cation mediated bridges to clarify how hyaluoronic acid binds to a phospholipid bilayer. The analysis shows that calcium ions promote longer lasting bonds between the species as they create calcium ion bridges between the carboxylate group of hyaluronic acid and the phosphate group of the phospholipid. This type of additional bonding does not significantly influence the total number of contact created, but rather stabilizes the contact. The presented results can facilitate understanding of the role of hyaluronic acid and phospholipid interactions in terms of lubrication of articular cartilage.

Place, publisher, year, edition, pages
Elsevier, 2019. Vol. 184, article id 110539
Keywords [en]
Hyaluronic acid, Phospholipids, Hydrogen bonds, Molecular dynamics simulations
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-266231DOI: 10.1016/j.colsurfb.2019.110539ISI: 000501613300066PubMedID: 31629183Scopus ID: 2-s2.0-85073213133OAI: oai:DiVA.org:kth-266231DiVA, id: diva2:1382951
Note

QC 20200107

Available from: 2020-01-07 Created: 2020-01-07 Last updated: 2020-01-07Bibliographically approved

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Dédinaité, AndraClaesson, Per M.

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