| Autor: |
Naz Z; Third World Center for Science and Technology, H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan., Shrestha R; Molecular Microbiology and Structural Biochemistry (MMSB), UMR 5086 CNRS & University of Lyon, Lyon 69007, France., Moin ST; Third World Center for Science and Technology, H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan., Monticelli L; Molecular Microbiology and Structural Biochemistry (MMSB), UMR 5086 CNRS & University of Lyon, Lyon 69007, France. |
| Jazyk: |
angličtina |
| Zdroj: |
The journal of physical chemistry. B [J Phys Chem B] 2022 Jun 30; Vol. 126 (25), pp. 4679-4688. Date of Electronic Publication: 2022 Jun 16. |
| DOI: |
10.1021/acs.jpcb.2c02007 |
| Abstrakt: |
Phthalates are esters of phthalic acid, widely used as additives in the manufacture of plastics. They are not covalently linked to polymer chains and can easily leach out, disperse in the environment, and get into contact with living organisms. Several short chain phthalates are classified as endocrine disruptors or hormonal active agents, and have also been reported to promote various kinds of cancer. However, the biological effects of longer chain analogues are less well known. Moreover, little is known on the permeation of phthalates and their metabolites through biological membranes and on their effects on the physical properties of membranes. Here we explore the interaction of a group of phthalates and their main metabolites with model biological membranes. We focus on three industrially relevant phthalates, with acyl chains of different sizes, and their monoester metabolites. We use molecular dynamics simulations to predict the distribution in model membranes, as well as permeabilities and effects on the structural, dynamic, and elastic properties of the membranes. We find that alterations of membrane properties are significant and only weakly affected by the size of acyl chains, suggesting that modifications of molecular size may not be sufficient to reduce the impact of this class of molecules on the environment and health. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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