Design, fabrication and molecular dynamics simulations of luteolin pickering emulsion using phosphorylated and succinylated lactoferrin nanocomplex
- 1National R & D Center for edible Fungus Processing technology, Henan University, Kaifeng, China
- 2School of Food Science and Engineering, Yangzhou University, Yangzhou, China
- 3Yangzhou Engineering Research Center of Food Intelligent Packaging and Preservation Technology, Yangzhou University, Yangzhou, China
Abstract
Chemically modified protein-based nanocomplexes are widely used as food-grade carriers, but their molecular mechanisms remain unclear. This study developed Pickering emulsions (PEs) composed of phosphorylated (PLF) or succinylated (SLF) lactoferrin (LF) complexed with luteolin (LUT) via a pH-driven method, integrating experimental and computational approaches. SLF-LUT PEs showed superior physicochemical properties, including smaller droplet sizes, encapsulation efficiency up to 80% under neutral conditions, and enhanced storage stability at pH 8 over 30 days. SLF-LUT also significantly inhibited lipid oxidation, with reduced primary and secondary oxidation products. Multi-ligand docking and 100 ns molecular dynamics simulations revealed that LUT binds multiple flaxseed oil fatty acids within lactoferrin’s hydrophobic pocket, positioning it for radical scavenging at the oil-water interface. The LF-LUT complex remained stable in a lipid-rich environment, with key residues (LEU320, PRO251, SER252) critical for stabilization. Network pharmacology further linked these interactions to antioxidant pathways (KEAP1/NRF2, FoxO, AGE-RAGE). These findings highlight the potential of nanocomplex-based oil-in-water PEs for delivering hydrophobic bioactives in food and pharmaceutical applications.
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BibTeX
@article{guan2026design,
title = {{Design, fabrication and molecular dynamics simulations of luteolin pickering emulsion using phosphorylated and succinylated lactoferrin nanocomplex}},
author = {Tianzhu Guan and Ning Li and Yining Feng and Ya Gao and Wei Xue and Shengqi Rao and Changyang Ma and Wenyi Kang},
journal = {NPJ Science of Food},
year = {2026},
month = jul,
doi = {10.1038/s41538-026-00952-y},
url = {https://doi.org/10.1038/s41538-026-00952-y},
note = {CC BY-NC-ND 4.0},
}
RIS
TY - JOUR
TI - Design, fabrication and molecular dynamics simulations of luteolin pickering emulsion using phosphorylated and succinylated lactoferrin nanocomplex
AU - Tianzhu Guan
AU - Ning Li
AU - Yining Feng
AU - Ya Gao
AU - Wei Xue
AU - Shengqi Rao
AU - Changyang Ma
AU - Wenyi Kang
PY - 2026
DA - 2026/07/01
JO - NPJ Science of Food
DO - 10.1038/s41538-026-00952-y
UR - https://doi.org/10.1038/s41538-026-00952-y
AB - Chemically modified protein-based nanocomplexes are widely used as food-grade carriers, but their molecular mechanisms remain unclear. This study developed Pickering emulsions (PEs) composed of phosphorylated (PLF) or succinylated (SLF) lactoferrin (LF) complexed with luteolin (LUT) via a pH-driven method, integrating experimental and computational approaches. SLF-LUT PEs showed superior physicochemical properties, including smaller droplet sizes, encapsulation efficiency up to 80% under neutral conditions, and enhanced storage stability at pH 8 over 30 days. SLF-LUT also significantly inhibited lipid oxidation, with reduced primary and secondary oxidation products. Multi-ligand docking and 100 ns molecular dynamics simulations revealed that LUT binds multiple flaxseed oil fatty acids within lactoferrin’s hydrophobic pocket, positioning it for radical scavenging at the oil-water interface. The LF-LUT complex remained stable in a lipid-rich environment, with key residues (LEU320, PRO251, SER252) critical for stabilization. Network pharmacology further linked these interactions to antioxidant pathways (KEAP1/NRF2, FoxO, AGE-RAGE). These findings highlight the potential of nanocomplex-based oil-in-water PEs for delivering hydrophobic bioactives in food and pharmaceutical applications.
SN - 2396-8370
ER -