[Molecular modeling of anti-arrhythmia agents in class Ia and Ib--model conceptions of different binding receptors].
The molecular properties of quinidine, EO 122, and lidocaine were investigated using theoretical methods (Molecular Modeling). The binding pattern of the molecules were investigated by calculating interaction energies with a negative charged fragment (receptor model). Based on these calculations a model for the differentiation of class Ia and class Ib antiarrhythmic drugs could be deduced. The results explain data which were formulated in the modulated receptor hypothesis. In this way the molecular basis for the preferred affinity of quinidine to the open state of the sodium channel as well as the equal affinity of lidocaine to the open and inactivated state of the channel were defined.
Marrer
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D000889:Anti-Arrhythmia Agents / Q000494:pharmacology*; D006801:Humans; D008958:Models, Molecular; D011955:Receptors, Drug / Q000032:analysis* / Q000187:drug effects
D000889:Anti-Arrhythmia Agents; D011955:Receptors, Drug
Molecular Modeling Untersuchung von Antiarrhythmika der Klassen Ia und Ib--Modellvorstellungen zur Differenzierung der Bindungsstellen.