Deciphering the interactions between altertoxins and glutenin based on molecular dynamic simulation: inspiration from detection.

Shaofeng YuanYulun ChenAying WenQingrun LiuYingying HeHang YuYahui GuoYuliang ChengHe QianYunfei Xie Wei-Rong Yao

Published in: Journal of the science of food and agriculture (2024)

This study revealed the mechanisms of the interactions between AOH (or AME) and high-molecular glutenin using MD and molecular docking. This could be useful in the development of effective methods to detect pollution levels. These results could also play an important role in the evaluation of the toxicological properties of bound altertoxins. © 2024 Society of Chemical Industry.

Keyphrases

molecular docking
molecular dynamics simulations
risk assessment
particulate matter
single molecule
single cell
loop mediated isothermal amplification
health risk assessment
virtual reality
drinking water