Pharmacophore modeling study based on known spleen tyrosine kinase inhibitors together with virtual screening for identifying novel inhibitors.

@article{Xie2009PharmacophoreMS,
  title={Pharmacophore modeling study based on known spleen tyrosine kinase inhibitors together with virtual screening for identifying novel inhibitors.},
  author={Huan-Zhang Xie and Lin-Li Li and Ji-Xia Ren and Jun Zou and Li Yang and Yu-Quan Wei and Shengyong Yang},
  journal={Bioorganic & medicinal chemistry letters},
  year={2009},
  volume={19 7},
  pages={1944-9}
}
In this investigation, chemical features based 3D pharmacophore models were developed based on the known inhibitors of Spleen tyrosine kinase (Syk) with the aid of hiphop and hyporefine modules within catalyst. The best quantitative pharmacophore model, Hypo1, was used as a 3D structural query for retrieving potential inhibitors from chemical databases including Specs, NCI, MayBridge, and Chinese Nature Product Database (CNPD). The hit compounds were subsequently subjected to filtering by… CONTINUE READING
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