Guidance of Chemical Optimization to Avoid GPCR-Mediated Side Effects

Guidance of Chemical Optimization to Avoid GPCR-Mediated Side Effects 

The main application of the generated antitarget pharmacophore hypotheses is to rationalize these experimental findings by providing pharmacophore-based 

1 Keating, M.T. and Sanguinetti, M.C. (2001) Molecular and cellular mechanisms of cardiac arrhythmias. Cell, 104, 569-580. 

3 Cavalli, A., Poluzzi, E., De, P.F. and Recanatini, M. (2002) Toward a pharmacophore for drugs inducing the long QT syndrome insights from a CoMFA study of HERG K(+) channel blockers, journal of Medicinal Chemistry, 45, 3844-3853. 

4 Pearlstein, R., Vaz, R. and Rampe, D. (2003) Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior. Journal of Medicinal Chemistry, 46, 2017-2022. 

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