Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
The biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabil...
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MDPI AG
2021-08-01
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| Series: | International Journal of Molecular Sciences |
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| author | Aneta Panuszko Maciej Pieloszczyk Anna Kuffel Karol Jacek Karol A. Biernacki Sebastian Demkowicz Janusz Stangret Piotr Bruździak |
| author_facet | Aneta Panuszko Maciej Pieloszczyk Anna Kuffel Karol Jacek Karol A. Biernacki Sebastian Demkowicz Janusz Stangret Piotr Bruździak |
| author_sort | Aneta Panuszko |
| collection | DOAJ |
| description | The biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine <i>N</i>-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (<i>N</i>-acetyl-glycine-methylamide) and diglycine, by means of FTIR spectroscopy and molecular dynamics simulations. We isolated the spectroscopic share of water molecules that are simultaneously under the influence of peptide and osmolyte and determined the structural and energetic properties of these water molecules. Our experimental and computational results revealed that the changes in the structure of water around peptides, caused by the presence of stabilizing or destabilizing osmolyte, are significantly different for both NAGMA and diglycine. The main factor determining the influence of osmolytes on peptides is the structural-energetic similarity of their hydration spheres. We showed that the chosen peptides can serve as models for various fragments of the protein surface: NAGMA for the protein backbone and diglycine for the protein surface with polar side chains. |
| first_indexed | 2024-03-10T08:10:33Z |
| format | Article |
| id | doaj.art-383668cbf330441eb59c5ed60eaf2102 |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-10T08:10:33Z |
| publishDate | 2021-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-383668cbf330441eb59c5ed60eaf21022023-11-22T10:41:55ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672021-08-012217935010.3390/ijms22179350Hydration of Simple Model Peptides in Aqueous Osmolyte SolutionsAneta Panuszko0Maciej Pieloszczyk1Anna Kuffel2Karol Jacek3Karol A. Biernacki4Sebastian Demkowicz5Janusz Stangret6Piotr Bruździak7Department of Physical Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, PolandDepartment of Physical Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, PolandDepartment of Physical Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, PolandDepartment of Physical Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, PolandDepartment of Organic Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, PolandDepartment of Organic Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, PolandDepartment of Physical Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, PolandDepartment of Physical Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, PolandThe biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine <i>N</i>-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (<i>N</i>-acetyl-glycine-methylamide) and diglycine, by means of FTIR spectroscopy and molecular dynamics simulations. We isolated the spectroscopic share of water molecules that are simultaneously under the influence of peptide and osmolyte and determined the structural and energetic properties of these water molecules. Our experimental and computational results revealed that the changes in the structure of water around peptides, caused by the presence of stabilizing or destabilizing osmolyte, are significantly different for both NAGMA and diglycine. The main factor determining the influence of osmolytes on peptides is the structural-energetic similarity of their hydration spheres. We showed that the chosen peptides can serve as models for various fragments of the protein surface: NAGMA for the protein backbone and diglycine for the protein surface with polar side chains.https://www.mdpi.com/1422-0067/22/17/9350osmolytessmall moleculesmolecular chaperonesprotein foldingprotein misfoldinghydration water |
| spellingShingle | Aneta Panuszko Maciej Pieloszczyk Anna Kuffel Karol Jacek Karol A. Biernacki Sebastian Demkowicz Janusz Stangret Piotr Bruździak Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions International Journal of Molecular Sciences osmolytes small molecules molecular chaperones protein folding protein misfolding hydration water |
| title | Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions |
| title_full | Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions |
| title_fullStr | Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions |
| title_full_unstemmed | Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions |
| title_short | Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions |
| title_sort | hydration of simple model peptides in aqueous osmolyte solutions |
| topic | osmolytes small molecules molecular chaperones protein folding protein misfolding hydration water |
| url | https://www.mdpi.com/1422-0067/22/17/9350 |
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