Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A
Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A
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DOI：
10.1021/ml200312s
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发表时间：
2012-05-01
影响因子：
4.2
通讯作者：
Smith, Leonard A.
中科院分区：
文献类型：
--
作者：
Cardellina, John H., II;Roxas-Duncan, Virginia I.;Smith, Leonard A.
美国国立卫生研究院（NIH）分子文库小分子库（MLSMR）的一项类似35万种化合物的计算机筛选和确证性生物测定鉴定出chaetochromin A(1)是肉毒杆菌神经毒素血清型A （BoNT A）的抑制剂。随后对1的类似物的获取和测试发现了两种化合物，塔拉罗德辛A(2)和B(3)，活性有所提高。这是首次报道的真菌代谢物表现出BoNT/A抑制活性。
An in silico screen of the NIH Molecular Library Small Molecule Repository (MLSMR) of similar to 350000 compounds and confirmatory bioassays led to identification of chaetochromin A (1) as an inhibitor of botulinum neurotoxin serotype A (BoNT A). Subsequent acquisition and testing of analogues of 1 uncovered two compounds, talaroderxines A (2) and B (3), with improved activity. These are the first fungal metabolites reported to exhibit BoNT/A inhibitory activity.