Lin, Lucy; Turner, Lewis D.; Silhar, Peter; Pellett, Sabine; Johnson, Eric A.; Janda, Kim D. published the artcile< Identification of 3-hydroxy-1,2-dimethylpyridine-4(1H)-thione as a metal-binding motif for the inhibition of botulinum neurotoxin A>, Recommanded Product: 4-Bromobenzylamine, the main research area is hydroxy dimethylpyridine dione botulinum neurotoxin inhibitor.
Botulinum neurotoxin serotype A (BoNT/A) is an important therapeutic target owing to its extremely potent nature, but also has potential use as a biowarfare agent. Currently, no therapeutic exists to reverse the long-lasting paralysis caused by BoNT/A. Herein, we describe the identification of 3-hydroxy-1,2-dimethylpyridine-4(1H)-thione (3,4-HOPTO) as a metal binding warhead for the inhibition of BoNT/A1. An initial screen of 96 metal binding fragments identified three derivatives containing the 3,4-HOPTO scaffold to inhibit the BoNT/A1 light chain (LC) at >95% at 1 mM. Addnl. screening of a 3,4-HOPTO sub-library identified structure-activity relationships (SARs) between N-substituted 3,4-HOPTO derivatives and the BoNT/A1 LC. Subsequent synthesis was conducted to improve on inhibitory potency – achieving low μM biochem. IC50 values. Representative compounds were evaluated in a cellular-based assay and showed promising μM activity.
RSC Medicinal Chemistry published new progress about Enzyme inhibitors (botulinum neurotoxin type A). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Recommanded Product: 4-Bromobenzylamine.
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