Inhibition of Metalloprotease Botulinum Serotype A from a Pseudo-peptide Binding Mode to a Small Molecule That Is Active in Primary Neurons

An efficient research strategy integrating empirically guided, structure-based modeling and chemoinformatics was used to discover potent small molecule inhibitors of the botulinum neurotoxin serotype A light chain. First, a modeled binding mode for inhibitor 2-mercapto-3-phenylpropionyl-RATKML (Ki =...

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Veröffentlicht in:The Journal of biological chemistry 2007-02, Vol.282 (7), p.5004-5014
Hauptverfasser: Burnett, James C., Ruthel, Gordon, Stegmann, Christian M., Panchal, Rekha G., Nguyen, Tam L., Hermone, Ann R., Stafford, Robert G., Lane, Douglas J., Kenny, Tara A., McGrath, Connor F., Wipf, Peter, Stahl, Andrea M., Schmidt, James J., Gussio, Rick, Brunger, Axel T., Bavari, Sina
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Sprache:eng
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