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Description: Atlantic cod is considered as a nutritional and healthy seafood product. Its main allergen parvalbumin Gad m 1 easy induces fish allergy, but its protein structure can be altered by effective food processing techniques to lower its allergenicity. Molecular dynamics (MD) simulation is served as a predictable database for the optimized setting of food processing parameters. MD simulations use the Groningen Machine for Chemical Simulations (GROMACS) software package to achieve a better understanding of the structural changes occurring at the molecular level. In this study, the effect of external thermal force field with various temperatures (300-375 K) and pressures (1 and 3 kbar) on the secondary structures and functional properties including the root mean square deviation (RMSD), root mean square fluctuations (RMSF), radius of gyration (Rg), and solvent accessible surface area (SASA) in Gad m 1 was investigated. Hopefully, this study can provide some useful suggestions for the in-depth research in food allergy management.

Keywords: Molecular modeling, GROMACS, fish allergy, protein structures, food processing.
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Date: 2022-07-24
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Conference name: CSBE/SCGAB 2022 Annual Conference, Charlottetow, PEI, 24-27 July 2022.
Session name: Food and Bioprocessing3

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Publication type: Presentation
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Coverage: Canada
Language 1: en
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Rights: Canadian Society for Bioengineering
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