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Identification of 4-hydroxyphenylpyruvate dioxygenase inhibitors by virtual screening, molecular docking, molecular dynamic simulation.

Juan ShiLi-Xia ZhaoJia-Yu WangHai-Feng CaoShuang GaoFei YeYing Fu
Published in: Journal of the science of food and agriculture (2023)
In this study, five compounds were obtained through multiple QSAR screening. Molecular docking and MD experiments showed that the constructed approach had good screening ability for HPPD inhibitors. This work provided molecular structural information for the developing novel, highly efficient and low toxicity HPPD inhibitors. This article is protected by copyright. All rights reserved.
Keyphrases
  • molecular docking
  • highly efficient
  • molecular dynamics simulations
  • oxidative stress
  • healthcare
  • health information
  • wastewater treatment
  • social media