Exploring the interaction mechanism of chlorogenic acid and myoglobin: Insights from structure and molecular dynamics simulation.
Food Chem
; 438: 138053, 2024 Apr 16.
Article
em En
| MEDLINE
| ID: mdl-38007953
ABSTRACT
This study focused on non-covalent complex of myoglobin-chlorogenic acid (Mb-CA) and the changes in conformation, oxidation, and microstructure induced by varying concentrations of CA (10-40 µmol/g Mb). Employing molecular docking and dynamics simulations, further insights into the interaction between Mb and CA were obtained. The findings revealed that different CA concentrations enhanced Mb's thermal stability, while diminishing particle size, solubility, and relative content of metmyoglobin (MetMb%). The optimal interaction occurred at 40 µmol/g Mb. Furthermore, CA exhibited static quenching of Mb, with thermodynamic analysis confirming a 11 complex formation. These insights deepen our understanding of interaction between Mb and CA, providing valuable clarity.
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Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Ácido Clorogênico
/
Mioglobina
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article