Arxiv
Təbiət və elm 2024
DOI: 10.36719/2707-1146/06/59-67
Лала Ислам гызы Велиева
Бакинский государственный университет
доктор философии по физико-математическим наукам, доцент
Lala_Veliyeva@rambler.ru
Фарида Махир гызы Мамедова
Бакинский государственный университет
магистрант
faridamammadlee1@gmail.com
ПРОСТРАНСТВЕННАЯ СТРУКТУРА НЕЙРОПЕПТИДА MET-CALLATOSTATIN
Ключевые слова: нейропептиды, структура, конформационный анализ, пептиды, молекулярной механикой
Spatial structure of the met callatostatin neuropeptide
Summary
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.
Key words: neuropeptides, structure, conformational analysis, peptides, by molecular mechanics
Baxış: 771