In silico study of the interaction between casein with tocopherols: preliminary evaluation of lipophilic substrate inclusion on proteic matrix.
Bovine casein is a family of milk proteins with hydrophilic and hydrophobic regions that show block distribution within the protein chain. These amphiphilic properties offer great potential as a material for being used as a matrix for transport active materials as tocopherol. In this work, we aim t...
Guardado en:
Autores principales: | , , , |
---|---|
Formato: | Artículo draft |
Lenguaje: | Inglés |
Publicado: |
2021
|
Materias: | |
Acceso en línea: | http://hdl.handle.net/20.500.12272/4837 |
Aporte de: |
id |
I68-R174-20.500.12272-4837 |
---|---|
record_format |
dspace |
institution |
Universidad Tecnológica Nacional |
institution_str |
I-68 |
repository_str |
R-174 |
collection |
RIA - Repositorio Institucional Abierto (UTN) |
language |
Inglés |
topic |
in silico study tocopherols casein interaction ligand-protein |
spellingShingle |
in silico study tocopherols casein interaction ligand-protein Guntero, Vanina A. Gutierrez, Leandro Kneeteman, María N. Ferretti, Cristián A. In silico study of the interaction between casein with tocopherols: preliminary evaluation of lipophilic substrate inclusion on proteic matrix. |
topic_facet |
in silico study tocopherols casein interaction ligand-protein |
description |
Bovine casein is a family of milk proteins with hydrophilic and hydrophobic regions that
show block distribution within the protein chain. These amphiphilic properties offer great potential as a material for being used as a matrix for transport active materials as tocopherol. In this work, we aim to evaluate the interaction of α1-casein, the main fraction of the casein, with vitamin E by docking calculations. Docking studies were conducted by using SwissDock and DockThor servers. Using specific scoring functions based on energy terms were obtained the best protein-ligand binding models. The observed interactions between vitamin E and amino acid residues consisting of several hydrophobic interactions (e.g., with Tyr119, Ala144, Trp179, Met211, Pro212). A few hydrogen bonds were observed between phenyl group of vitamin E and carboxylate group of glutamic acid residue (e.g., with Glu85, Glu148). In conclusion, the results suggest that exists a major
interaction of vitamin E with random coil structure that the interaction with segments formed by α-helix and β-sheet. This implies that in random coil segments predominance hydrophobic domains. |
format |
Artículo draft |
author |
Guntero, Vanina A. Gutierrez, Leandro Kneeteman, María N. Ferretti, Cristián A. |
author_facet |
Guntero, Vanina A. Gutierrez, Leandro Kneeteman, María N. Ferretti, Cristián A. |
author_sort |
Guntero, Vanina A. |
title |
In silico study of the interaction between casein with tocopherols: preliminary evaluation of lipophilic substrate inclusion on proteic matrix. |
title_short |
In silico study of the interaction between casein with tocopherols: preliminary evaluation of lipophilic substrate inclusion on proteic matrix. |
title_full |
In silico study of the interaction between casein with tocopherols: preliminary evaluation of lipophilic substrate inclusion on proteic matrix. |
title_fullStr |
In silico study of the interaction between casein with tocopherols: preliminary evaluation of lipophilic substrate inclusion on proteic matrix. |
title_full_unstemmed |
In silico study of the interaction between casein with tocopherols: preliminary evaluation of lipophilic substrate inclusion on proteic matrix. |
title_sort |
in silico study of the interaction between casein with tocopherols: preliminary evaluation of lipophilic substrate inclusion on proteic matrix. |
publishDate |
2021 |
url |
http://hdl.handle.net/20.500.12272/4837 |
work_keys_str_mv |
AT gunterovaninaa insilicostudyoftheinteractionbetweencaseinwithtocopherolspreliminaryevaluationoflipophilicsubstrateinclusiononproteicmatrix AT gutierrezleandro insilicostudyoftheinteractionbetweencaseinwithtocopherolspreliminaryevaluationoflipophilicsubstrateinclusiononproteicmatrix AT kneetemanmarian insilicostudyoftheinteractionbetweencaseinwithtocopherolspreliminaryevaluationoflipophilicsubstrateinclusiononproteicmatrix AT ferretticristiana insilicostudyoftheinteractionbetweencaseinwithtocopherolspreliminaryevaluationoflipophilicsubstrateinclusiononproteicmatrix |
bdutipo_str |
Repositorios |
_version_ |
1764820552212545538 |