DOI: 10.36719/2707-1146/06/59-67

Бакинский государственный университет

доктор философии по физико-математическим наукам, доцент

Бакинский государственный университет

магистрант

ПРОСТРАНСТВЕННАЯ СТРУКТУРА НЕЙРОПЕПТИДА MET-CALLATOSTATIN

In work by the method of molecular mechanics in approximation of atom-atom potential functions is studied the spatial structure and conformational properties of the molecules from allatostatin family, got the name of Met-callatostatin. The researches were based on minimizing of the energy of intramolecular interactions (non-bonded, electrostatic, torsion) in the vicinity of the internal rotation angles corresponding to all combinations of stable conformations of monopeptide residues forming a molecule. There determined ten energetically stable conformations of molecules, implemented under the conditions of implicitly given aqueous environment, the relative conformational energy of which varies in the range of 0-10 kcal / mol. It was shown that the system of hydrogen bonds, despite a small contribution to the total energy of the molecule is essential for the preservation of a stable structure and restriction of Met-callatostatin.