Abstract
AbstractA conformational analysis on calcium antagonists with diphenylalkylamine and diphenylbutylamine structure was performed based on force field calculations. Superposition of all energetically permitted conformations of all compounds under study led to the development of a common pharmacophore for both diphenylalkylamines (DPAAs) and diphenylbutylpiperidines (DPBPs). The pharmacophore consists of a – under physiological conditions protonated – nitrogen atom and three aromatic substructures. Conformational calculations on the verapamil derivative S( — )‐D595 and perhexiline showed that both substances possibly also interact with the DPAA/DPBP‐receptor.
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