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Case Study: Off-Target Assessment for Beta-Secretase 1 Inhibitors Optimization

Posted on | Posted in Publications

15 January 2015. Symmetry’s Global Mechanism of Action (GMoA) model helps anticipate potential off-target safety liabilities of new structures early in drug discovery. This case study is performed with molecules reported in a recent paper describing the optimization of compounds for the potential treatment of Alzheimer ’s disease, minimizing cardiovascular liabilities (hERG channel blockade).

 

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