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. Author manuscript; available in PMC: 2015 Jul 1.
Published in final edited form as: J Comput Aided Mol Des. 2014 Jun 24;28(7):765–778. doi: 10.1007/s10822-014-9758-7

Figure 1.

Figure 1

Inhibitors of BoNT/A used as probes in this study. 2,4-dichlorocinnamic hydroxamate (DCH) is a potent BoNT/A active site inhibitor which chelates the zinc [23]. D-chicoric acid (DCA) and Lomofungin are exosite inhibitors of BoNT/A which have been reported from studies by Janda et al [21,22].