Functional validation of virtual screening for novel agents with general anesthetic action at ligand-gated ion channels.

@article{Heusser2013FunctionalVO,
  title={Functional validation of virtual screening for novel agents with general anesthetic action at ligand-gated ion channels.},
  author={Stephanie A Heusser and Rebecca J Howard and Cecilia M Borghese and Madeline A Cullins and Torben Broemstrup and Ui S Lee and Erik Lindahl and Jens Carlsson and R Adron Harris},
  journal={Molecular pharmacology},
  year={2013},
  volume={84 5},
  pages={670-8}
}
GABA(A) receptors play a crucial role in the actions of general anesthetics. The recently published crystal structure of the general anesthetic propofol bound to Gloeobacter violaceus ligand-gated ion channel (GLIC), a bacterial homolog of GABA(A) receptors, provided an opportunity to explore structure-based ligand discovery for pentameric ligand-gated ion channels (pLGICs). We used molecular docking of 153,000 commercially available compounds to identify molecules that interact with the… CONTINUE READING