Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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The Structure-Based Three-Dimensional Pharmacophore Models for Arabidopsis thaliana HPPD inhibitors as Herbicide

  • Cho, Jae Eun (Graduate School of New Drug Discovery and Development, Chungnam National University) ;
  • Kim, Jun Tae (Graduate School of New Drug Discovery and Development, Chungnam National University) ;
  • Kim, Eunae (Division of Convergence Chemistry, Korea Research Institute of Chemical Technology) ;
  • Ko, Young Kwan (Division of Convergence Chemistry, Korea Research Institute of Chemical Technology) ;
  • Kang, Nam Sook (Graduate School of New Drug Discovery and Development, Chungnam National University)
  • Received : 2013.06.24
  • Accepted : 2013.07.05
  • Published : 2013.10.20
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Abstract

p-Hydroxyphenylpyruvate dioxygenase (HPPD) is a potent herbicide target that is in current use. In this study, we developed a predictive pharmacophore model that uses known HPPD inhibitors based on a theoretically constructed HPPD homology model. The pharmacophore model derived from the three-dimensional (3D) structure of a target protein provides helpful information for analyzing protein-ligand interactions, leading to further improvement of the ligand binding affinity.

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References

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