Elucidation of interaction mechanisms between myofibrillar proteins and ethyl octanoate by SPME-GC-MS, molecular docking and dynamics simulation

The molecular interactions and mechanisms between four ethyl esters (ethyl acetate, ethyl butyrate, ethyl hexanoate, and ethyl octanoate) and myofibrillar proteins (MPs) were investigated. The gas chromatography and mass spectrometry results showed that binding capability was significantly enhanced...

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Bibliographic Details
Published in:Food science & technology 2022-01, Vol.154, p.112787, Article 112787
Main Authors: Wang, Haitang, Guan, Haining, Zhang, Hongwei, Liu, Haotian, Chen, Qian, Kong, Baohua
Format: Article
Language:English
Subjects:
Ethyl esters
Fluorescence quenching
Interaction mechanism
Molecular dynamics simulation
Myofibrillar proteins
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Summary:The molecular interactions and mechanisms between four ethyl esters (ethyl acetate, ethyl butyrate, ethyl hexanoate, and ethyl octanoate) and myofibrillar proteins (MPs) were investigated. The gas chromatography and mass spectrometry results showed that binding capability was significantly enhanced as MP concentrations increased (p  ethyl hexanoate > ethyl butanoate > ethyl acetate (p 
ISSN:0023-6438
1096-1127
DOI:10.1016/j.lwt.2021.112787