Spatial structure of the β-casomorphin-8 molecule
DOI:
https://doi.org/10.13171/mjc02503121821akhmedovAbstract
Abstract. Several exogenous peptides obtained from food have opioid-like properties. These peptides were called exorphins. The first known exorphins were obtained by in vitro pepsin hydrolysis of α-casein and wheat gluten. The conformational capabilities of the β-casomorphin-8 molecule (H-Tyr1-Pro2-Phe3-Pro4-Gly5-Pro6-İle7-Pro8-OH) have been studied by theoretical conformational analysis. The potential function of the system is chosen as the sum of non-bonded, electrostatic, and torsion interactions and the energy of hydrogen bonds. Low-energy conformations of the β-casomorphin-8 molecule were found, the dihedral angles of the leading and side chains of amino acid residues included in the molecule were found, and the energy of intra- and intersubstance interactions was estimated. It has been shown that six structural types represent the spatial structure of the β-casomorphin-8 molecule. It can be assumed that the molecule performs its physiological functions in these structures. These three-dimensional structures make it possible to propose synthetic analogs for a given molecule. The results obtained can be used to elucidate the structural and structural-functional organization of casomorphin molecules.
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