Abstract
［Objective］ To explore the activation effect of casein (CN) on neutrophils and its interaction with TLR 4 receptors on the neutrophil surface.［Methods］ The zebrafish model is adopted to study the activation effect of CN on neutrophil migration,with such methods as 3D model construction,molecular docking,and molecular dynamics simulations employed to study the interaction between TLR 4 receptors and CN subtypes.［Results］］ Treatment of 3 dpf zebrafish with 1 mg/mL of CN solution for 2 h can induce neutrophil migration and accumulation inside the body of the zebrafish.All subtypes of CN can form stable complexes with TLR 4.It is speculated that the key amino acids that maintain the stability of the complexes between αS1-CN/αS2-CN and TLR 4 mainly bind via hydrogen bonds and hydrophobic interactions,while the key amino acids that maintain the stability of the complexes between β-CN/κ-CN and TLR 4 mainly bind by hydrogen bonds.［Conclusion］ CN can bind to TLR 4 via hydrogen bonds and hydrophobic interactions,and mediate the activation of neutrophils,thus exerting its immunomodulatory effects.
Publication Date
6-2-2025
First Page
8
Last Page
18
DOI
10.13652/j.spjx.1003.5788.2025.80042
Recommended Citation
Yang, TANG; Fei, JIANG; Bo, ZHANG; Li, WEN; and Yufei, XIE
(2025)
"Interaction between casein and TLR 4 on neutrophil surface based on molecular dynamics,"
Food and Machinery: Vol. 41:
Iss.
4, Article 2.
DOI: 10.13652/j.spjx.1003.5788.2025.80042
Available at:
https://www.ifoodmm.cn/journal/vol41/iss4/2
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