Insulin-containing amino acids and oligopeptides/β-cyclodextrin supramolecular systems: molecular modeling and docking experiments [articol]

Abstract

The paper presents the molecular modeling of insulin-containing amino acids and A and B chains and furthermore the docking experiments of these amino acids and oligopeptide moieties in β-cyclodextrin. Best results were obtained for insulin-containing amino acids tyrosine, phenylalanine, and leucine, as well as for the corresponding residues from A and B chains of human insulin, when the maximum number of cyclodextrin molecules was six (for every insulin-containing chain).