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Edible soybeans can enhance human immunity, promote digestion, and prevent cholesterol absorption, which makes them highly favored by people worldwide. However, the presence of a distinct “bean flavour” in soy milk products restricts their development. Research has identified lipoxygenase-1 (LOX-1) as the primary culprit responsible for this “bean flavor.” This paper employs molecular dynamics simulations to investigate the effects of pulsed electric field (PEF) technology on LOX-1. By examining changes in secondary structure and simulation data, we explore the processing effects of PEF on LOX-1.The simulation results indicate that when the intensity of the pulsed electric field reaches a certain threshold, it directly impacts the secondary structure of LOX-1 molecules. This further affects the spatial structures of key residues—His499, His504, His690, Ile839, and Asn694—involved in forming endogenous ligands at LOX-1's active site. Consequently, this may reduce the bonding capability of iron atoms within the active center and subsequently diminish LOX-1 activity. Furthermore, analyzing simulation metrics such as RMSD (Root Mean Square Deviation), Rg (Radius of Gyration), and RMSF (Root Mean Square Fluctuation) can further validate PEF’s impact on LOX-1 molecular structure.These findings provide theoretical support for deodorization processes applied to soy milk products during production activities.

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Molecular Dynamics Simulation Study of Soybean Lipoxygenase Reaction Under High-Voltage Pulsed Electric Field

  • 会议论文

  • 发表日期：

    2026年

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  • Xianjun Liang,
  • Pujie Huang,
  • Zhou Chen

摘要

Edible soybeans can enhance human immunity, promote digestion, and prevent cholesterol absorption, which makes them highly favored by people worldwide. However, the presence of a distinct “bean flavour” in soy milk products restricts their development. Research has identified lipoxygenase-1 (LOX-1) as the primary culprit responsible for this “bean flavor.” This paper employs molecular dynamics simulations to investigate the effects of pulsed electric field (PEF) technology on LOX-1. By examining changes in secondary structure and simulation data, we explore the processing effects of PEF on LOX-1.The simulation results indicate that when the intensity of the pulsed electric field reaches a certain threshold, it directly impacts the secondary structure of LOX-1 molecules. This further affects the spatial structures of key residues—His499, His504, His690, Ile839, and Asn694—involved in forming endogenous ligands at LOX-1's active site. Consequently, this may reduce the bonding capability of iron atoms within the active center and subsequently diminish LOX-1 activity. Furthermore, analyzing simulation metrics such as RMSD (Root Mean Square Deviation), Rg (Radius of Gyration), and RMSF (Root Mean Square Fluctuation) can further validate PEF’s impact on LOX-1 molecular structure.These findings provide theoretical support for deodorization processes applied to soy milk products during production activities.