Journal
JOURNAL OF MEDICINAL CHEMISTRY
Volume 55, Issue 8, Pages 4010-4014Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jm201194q
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Funding
- European Community [241679]
- Istituto Italiano di Tecnologia, Genova, Italy
- Alma Mater Studiorum, University of Bologna, Bologna, Italy
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Molecular knowledge of hERG blocking liability can offer the possibility of optimizing lead compounds in a way that eliminates potentially lethal side effects. In this study, we computationally designed, synthesized, and tested a small series of minimally structured molecules. Some of these compounds were remarkably potent against hERG (6, IC50 = 2.4 nM), allowing us to identify the minimal structural requirements for hERG blocking liability.
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