4.7 Article

Explore the interaction mechanism between zein and EGCG using multi-spectroscopy and molecular dynamics simulation methods

Journal

FOOD HYDROCOLLOIDS
Volume 120, Issue -, Pages -

Publisher

ELSEVIER SCI LTD
DOI: 10.1016/j.foodhyd.2021.106906

Keywords

Zein; EGCG; Interaction; Molecular dynamics simulation; Binding mechanism

Funding

  1. Natural Science Foundation of Zhejiang Province [LGN21C200012]
  2. National Natural Science Foundation of China [21203166]
  3. Open Project of State Key Laboratory of Physical Chemistry of Solid Surface of Xiamen University [202007]

Ask authors/readers for more resources

The study investigated the binding mechanism of zein with EGCG, revealing that static quenching is the main interaction mode. Molecular dynamics simulation showed that EGCG prefers to bind to a pocket of zein formed by specific residues, with electrostatic and van der Waals interactions playing a dominant role in the binding. This research provides new insights into the interaction mechanism between zein and EGCG, which is crucial for developing plant protein as a tea polyphenol delivery system.
Zein as a kind of carrier material has attracted extensive interest, while the interaction mechanism between zein and nutrients is still elusive. In this work, the binding mechanism of zein with epigallocatechin-3-gallate (EGCG) was investigated via multi-spectroscopy and molecular dynamics (MD) simulation. The quenching of zein by EGCG is mainly static quenching, and the secondary structure of zein is slightly changed after the binding of EGCG to zein. The formation of Zein-EGCG complexes was confirmed by ultraviolet-visible (UV-Vis) spectroscopy, X-ray diffraction (XRD), and scanning electron microscopy (SEM). Molecular dynamics (MD) simulation clarified that the EGCG prefers to bind to the pocket of zein formed by residues Y171, Q174, L176 and L205. Electrostatic and van der Waals interactions played a dominant role for the binding of EGCG to zein, which was consistent with the results by fourier transform infrared spectroscopy (FTIR) and thermodynamic analysis. This study provides new insights into the interaction mechanism between zein and EGCG, which is very important to develop plant protein as tea polyphenol delivery system.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available