期刊
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
卷 27, 期 3, 页码 675-678出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2016.11.019
关键词
Botulinum neurotoxin serotype A; BoNT/A inhibitor; Betti reaction products; Structure-activity relationship; Binding site flexibility
资金
- Defense Threat Reduction Agency, Joint Science and Technology Office for Chemical Biological Defense
- UMD
Our initial discovery of 8-hydroxyquinoline inhibitors of BoNT/A and separation/testing of enantiomers of one of the more active leads indicated considerable flexibility in the binding site. We designed a limited study to investigate this flexibility and probe structure-activity relationships; utilizing the Betti reaction, a 36 compound matrix of quinolinol BoNT/A LC inhibitors was developed using three 8-hydroxyquinolines, three heteroaromatic amines, and four substituted benzaldehydes. This study has revealed some of the most effective quinolinol-based BoNT/A inhibitors to date, with 7 compounds displaying IC50 values <= 1 mu M and 11 effective at <= 2 mu M in an ex vivo assay. Published by Elsevier Ltd.
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