Dependence of pharmacokinetic properties of 1,4-dihydropyridine calcium antagonists on agglomeration in crystals

With the aim of validating the hypothesis that the pharmacokinetic properties of drugs depend on molecular agglomeration, crystal-chemical analysis was performed for the following representatives of 1,4-dihydropyridine calcium antagonists: nifedipine, felodipine, and nitrendipine. These compounds belong to the structural class P2₁/c, Z = 4(1). The energy of intermolecular interactions was calculated with the use of the CCA program designed for the conventional crystal-chemical analysis. The structural subclasses for the compounds in question were determined. On the basis of the published data, the relationship between the pharmacokinetic properties of these compounds and molecular agglomeration was revealed.