Spatial Structure of Dihydropyridines and Similarity of Dihydropyridines with some Amino Acids

作者: Inta Liepina , Mario Blanco , Gunars Duburs , Adam Liwo

DOI: 10.1023/A:1008272311650

关键词:

摘要: Semi-empirical (PM3) and ab-initio (PSGVB) calculations were carried out for 1,4-dihydropyridine (DHP) various of its derivatives also related amino acids, in order to understand the conformational changes brought about by substituents peptidomimetic properties DPH derivatives, terms similarity their spatial structure those peptides. The results allow us derive some rules nature position susbtituents on DHP ring conclude that exhibit similarities which explains binding common receptors.

参考文章(5)
J. Kuthan, L. Musil, A CNDO study of nicotinamide and 1-methyl-1,4-dihydronicotinamide Collection of Czechoslovak Chemical Communications. ,vol. 40, pp. 3169- 3176 ,(1975) , 10.1135/CCCC19753169
J. Kuthan, L. Musil, V. Skála, EHT-Berechnungen an Nicotinamid-Modellen† Zeitschrift für Chemie. ,vol. 11, pp. 390- 390 ,(2010) , 10.1002/ZFCH.19710111017
A. T. H. Lenstra, G. H. Petit, R. A. Dommisse, F. C. Alderweireldt, The Molecular Structure of 3,5-Diethoxycarbonyl-2, 6-Dimethyl-1,4-Dihydropyridine. An X-Ray Study Bulletin des Sociétés Chimiques Belges. ,vol. 88, pp. 133- 141 ,(2010) , 10.1002/BSCB.19790880303