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The geometry of the 1,4-dihydropyridine molecule was completely optimized employing three different ab initio basis sets (6-31 G*, 4-31G, STO-3G). The most reliable 6-31G* basis set provides a very flat boat conformation which may easily undergo defolding to a planar ring arrangement. This result is discussed with respect to enzymatic redox cofactors and the pharmacological activity of dihydropyridine calcium antagonists.
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Hofmann et al. (1988) studied this question.
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