| Literature DB >> 22455383 |
Andrea Cavalli1, Rosa Buonfiglio, Cristina Ianni, Matteo Masetti, Luisa Ceccarini, Rachel Caves, Michael W Y Chang, John S Mitcheson, Marinella Roberti, Maurizio Recanatini.
Abstract
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, IC(50) = 2.4 nM), allowing us to identify the minimal structural requirements for hERG blocking liability.Entities:
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Year: 2012 PMID： 22455383 DOI： 10.1021/jm201194q
Source DB: PubMed Journal: J Med Chem ISSN： 0022-2623 Impact factor: 7.446