title: Conformational analysis of the calcium complexes formed by meglitinide analogs.
abstract: The conformation of calcium complexes formed with meglitinide and its hypoglycemic analogs KAD-1229, A-4166, S 3075 and repaglinide was analyzed by a semi-empirical procedure, which includes calculation of the molecular hydrophobicity potential. The calcium complexes formed with KAD-1229, A-4166, repaglinide or its enantiomer, displayed favourable attributes to act as ionophores. Such was not the case for the poorly efficient insulinotropic agent meglitinide and the biologically inactive enantiomer of A-4166. The configuration of the calcium complex formed with S 3075 also failed to display the features required for a high ionophoretic capacity.
authors.affiliation: Centre de Biophysique Moléculaire Numérique, Faculté Universitaire de Gembloux, Belgium.
authors.forename: L
authors.initials: L
authors.lastname: Lins
authors.forename: R
authors.initials: R
authors.lastname: Brasseur
authors.forename: W J
authors.initials: WJ
authors.lastname: Malaisse
mesh_terms: D001549:Benzamides / Q000737:chemistry*; D000001:Calcimycin / Q000737:chemistry; D002118:Calcium / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D007004:Hypoglycemic Agents / Q000737:chemistry; D007476:Ionophores / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D013237:Stereoisomerism
chemical_list: D001549:Benzamides; D007004:Hypoglycemic Agents; D007476:Ionophores; D000001:Calcimycin; C030516:meglitinide; D002118:Calcium