Wyszukiwarka
Abstrakt
The lubrication mechanism in synovial fluid and joints is not yet fully understood. Nevertheless, intermolecular interactions between various neutral and ionic species including large macromolecular systems and simple inorganic ions are the key to understanding the excellent lubrication performance. An important tool for characterizing the intermolecular forces and their structural consequences is molecular dynamics. Albumin is one of the major components in synovial fluid. Its electrostatic properties, including the ability to form molecular complexes, are closely related to pH, solvation, and the presence of ions. In the context of synovial fluid, it is relevant to describe the possible interactions between albumin and hyaluronate, taking into account solution composition effects. In this study, the influence of Na+, Mg2+, and Ca2+ ions on human serum albumin–hyaluronan interactions were examined using molecular dynamics tools. It was established that the presence of divalent cations, and especially Ca2+, contributes mostly to the increase of the affinity between hyaluronan and albumin, which is associated with charge compensation in negatively charged hyaluronan and albumin. Furthermore, the most probable binding sites were structurally and energetically characterized. The indicated moieties exhibit a locally positive charge which enables hyaluronate binding (direct and water mediated).
Cytowania
-
1 3
CrossRef
-
0
Web of Science
-
1 3
Scopus
Autorzy (9)
-
-
Przemysław Raczyński
-
Andra Dedinaite
-
Krzysztof Górny
-
Florian Wieland
-
Zbigniew Dendzik
-
Alina Sionkowska
-
Per M. Claesson
Cytuj jako
Pełna treść
- Wersja publikacji
- Submitted Version
- Licencja
-
otwiera się w nowej karcie
Słowa kluczowe
Informacje szczegółowe
- Kategoria:
- Publikacja w czasopiśmie
- Typ:
- Publikacja w czasopiśmie
- Opublikowano w:
-
International Journal of Molecular Sciences
nr 22,
wydanie 22,
ISSN: 1422-0067 - ISSN:
- 1422-0067
- Rok wydania:
- 2021
- DOI:
- Cyfrowy identyfikator dokumentu elektronicznego (otwiera się w nowej karcie) 10.3390/ijms222212360
- Weryfikacja:
- Brak weryfikacji
wyświetlono 148 razy
Publikacje, które mogą cię zainteresować
Effect of Ion and Binding Site on the Conformation of Chosen Glycosaminoglycans at the Albumin Surface
- P. Sionkowski,
- P. Bełdowski,
- N. Kruszewska
- + 3 autorów
Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
- M. Przybyłek,
- A. Tuwalska,
- D. Ledziński
- + 4 autorów
Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes
- T. Andrysiak,
- P. Bełdowski,
- J. Siódmiak
- + 2 autorów
Anomalous Behavior of Hyaluronan Crosslinking Due to the Presence of Excess Phospholipids in the Articular Cartilage System of Osteoarthritis
- P. Bełdowski,
- P. Weber,
- T. Andrysiak
- + 4 autorów