Hip and/or publication of this article. Institutional Review Board StatementHip and/or publication of this short

Hip and/or publication of this article. Institutional Review Board Statement
Hip and/or publication of this short article. Institutional Overview Board Statement: Not applicable. Information Availability Statement: Data are readily available upon request. Conflicts of Interest: The authors declare no conflict of interest.Int. J. Mol. Sci. 2021, 22,eight of
International Journal ofMolecular SciencesArticleAlbumin yaluronan Interactions: Influence of Ionic Composition Probed by Molecular DynamicsPiotr Beldowski 1,2, , Maciej Przybylek 3 , Przemyslaw Raczynski 4 , Andra Dedinaite two,5 , Krzysztof G ny four , Florian Wieland six , Zbigniew Dendzik 4 , Alina Sionkowska 7 and Per M. Claesson5Citation: Beldowski, P.; Przybylek, M.; Raczynski, P.; Dedinaite, A.; G ny, K.; Wieland, F.; Dendzik, Z.; Sionkowska, A.; Claesson, P.M. Albumin yaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics. Int. J. Mol. Sci. 2021, 22, 12360. https:// doi.org/10.3390/ijms222212360 Academic Editor: Peter J. Tiny Received: 11 October 2021 Accepted: ten November 2021 Published: 16 NovemberFaculty of Chemical Technology and Engineering, Institute of Mathematics Physics, Bydgoszcz University of Science Technologies, 85-796 Bydgoszcz, Poland KTH Royal Institute of Technology, School of Engineering Sciences in Chemistry, Biotechnology and Well being, Engineering Pedagogics, SE-100 44 Stockholm, Sweden; [email protected] Division of Physical Chemistry, Pharmacy Faculty, Collegium Medicum of Bydgoszcz, Nicolaus Copernicus University in Torun, Kurpinskiego 5, 85-950 Bydgoszcz, Poland; [email protected] Faculty of Science and Technologies, University of Silesia in Katowice, 75 Pulku Piechoty 1A, 41-500 Chorzow, Poland; [email protected] (P.R.); [email protected] (K.G.); [email protected] (Z.D.) Division of Bioscience and Supplies, RISE Research Institutes of Sweden, SE-114 86 Stockholm, Sweden Helmholtz-Zentrum Hereon: Institute for metallic Biomaterials, Max-Planck-Stra 1, 21502 Geesthacht, Germany; [email protected] Division of Biomaterials and Cosmetics Chemistry, Faculty of Chemistry, Nicolaus Copernicus University in Torun, Gagarin 7, 87-100 Torun, Poland; [email protected] KTH Royal Institute of Technologies, Department of Chemistry, Surface and Corrosion Science, College of Engineering Sciences in Chemistry, Biotechnology and Health, SE-100 44 Stockholm, Sweden; [email protected] Correspondence: [email protected]’s Note: MDPI stays neutral with regard to jurisdictional claims in published maps and institutional affiliations.Abstract: The lubrication mechanism in YTX-465 Protocol synovial fluid and joints will not be but totally understood. Nonetheless, intermolecular interactions between various neutral and ionic species such as big macromolecular systems and uncomplicated inorganic ions are the crucial to understanding the outstanding lubrication overall performance. A crucial tool for characterizing the intermolecular forces and their structural consequences is molecular dynamics. Albumin is amongst the significant elements in synovial fluid. Its electrostatic properties, such as the capability to form molecular Bafilomycin C1 supplier complexes, are closely associated with pH, solvation, as well as the presence of ions. Within the context of synovial fluid, it’s relevant to describe the attainable interactions amongst albumin and hyaluronate, taking into account option composition effects. Within this study, the influence of Na+ , Mg2+ , and Ca2+ ions on human serum albumin yaluronan interactions were examined making use of molecular dynamics tools. It was established that the presence of d.