Serotype-selective, small-molecule inhibitors of the zinc endopeptidase of botulinum neurotoxin serotype A

…, PC Sill, EF Makiyi, AT Garcia-Sosa, CB Millard…

文献索引：Park, Jewn Giew; Sill, Peter C.; Makiyi, Edward F.; Garcia-Sosa, Alfonso T.; Millard, Charles B.; Schmidt, James J.; Pang, Yuan-Ping Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 2 p. 395 - 408

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被引用次数: 77

摘要

Botulinum neurotoxin serotype A (BoNTA) is one of the most toxic substances known. Currently, there is no antidote to BoNTA. Small molecules identified from high-throughput screening reportedly inhibit the endopeptidase—the zinc-bound, catalytic domain of BoNTA— at a drug concentration of 20μM. However, optimization of these inhibitors is hampered by challenges including the computational evaluation of the ability of a zinc ligand to ...