Baku, Azerbaijan
By the method of the theoretic conformational analysis the conformational capabilities of the Casoxin A molecule (Tyr1-Pro2-Ser3-Tyr4-Gly5-Leu6-Asn7-NH2) were studied. The potential function of the system is chosen as the sum of non-valent, electrostatic and torsion interactions and the energy of hydrogen bonds. Low-energy conformations of the casoxin A molecule, the values of the dihedral angles of the main and side chains of amino acid residues that make up the molecules are founded; the energy of intra- and inter-residual interactions is estimated. It is shown that the spatial structure of the casoxin A molecule can be represented by the conformations of fourteen shapes of the peptide backbone. The results obtained can be used to elucidate the structural and structural-functional organization of casoxin molecules.
exorphin, casoxin, opioid, structure, conformation
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