Key result
A common five-point three-dimensional relationship was identified for the most active IKr inhibitor compounds, and a four-point pharmacophore for less potent agents.
Population
Structures of known blockers of the cardiac-delayed rectifier potassium current (IKr)
Design
Preclinical
Authors
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May guide IKr inhibitor screening; leaves open clinical translation for Class III antiarrhythmics.
Computational modeling identified a five-point 3D pharmacophore for potent IKr inhibitors, providing a structural basis for Class III antiarrhythmic drug design.
M�tyus et al. (1998) studied this question. Pharmacophores for IKr inhibitors was evaluated on Identification of pharmacophores. A common five-point three-dimensional relationship was identified for the most active IKr inhibitor compounds, and a four-point pharmacophore for less potent agents.
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