Abstract
Semi-empirical (PM3) and ab-initio (PSGVB) calculations were carried out for 1,4-dihydropyridine (DHP) and various of its derivatives and also for related amino acids, in order to understand the conformational changes brought about by the substituents and the peptidomimetic properties of the DPH derivatives, in terms of the similarity of their spatial structure to those of related peptides. The results allow us to derive some conformational rules in terms of the nature and position of the susbtituents on the DHP ring and also to conclude that the DHP derivatives exhibit conformational similarities to the related amino acids, which explains their binding to common receptors.
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Liepina, I., Blanco, M., Duburs, G. et al. Spatial Structure of Dihydropyridines and Similarity of Dihydropyridines with some Amino Acids. Molecular Engineering 7, 401–427 (1997). https://doi.org/10.1023/A:1008272311650
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DOI: https://doi.org/10.1023/A:1008272311650