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).
Keywords:
insulin, amino acids, supramolecular systems, β cyclodextrin, molecular modeling, docking
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