Pharmacophore Modeling, Docking Studies, and Synthesis of Novel Dipeptide Proteasome Inhibitors Containing Boron Atoms

@article{Lei2009PharmacophoreMD,
  title={Pharmacophore Modeling, Docking Studies, and Synthesis of Novel Dipeptide Proteasome Inhibitors Containing Boron Atoms},
  author={Meng Lei and Xin Zhao and Zhanli Wang and Yongqiang Zhu},
  journal={Journal of chemical information and modeling},
  year={2009},
  volume={49 9},
  pages={2092-100}
}
A 3D pharmacophore model had been generated for a series of dipeptide proteasome inhibitors containing boron atoms using Catalyst. A data set consisting of 24 inhibitors was selected on the basis of the information content of the structures and activity data as required by the Catalyst/HypoGen program. The built model was able to predict the activity of other known proteasome inhibitors not included in the model generation. Based on the analysis of the best hypotheses, some novel proteasome… CONTINUE READING

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