Russian Journal of Biological Physics and Chemisrty Russian Journal of Biological Physics and Chemisrty АКТУАЛЬНЫЕ ВОПРОСЫ БИОЛОГИЧЕСКОЙ ФИЗИКИ И ХИМИИ 2499-9962 54247 Моделирование в биофизике Modelling in biophycis Моделирование в биофизике COMPARATIVE ANALYSIS OF THE SPATIAL STRUCTURE OF LEU-CALLOTOSTATIN-4, DROSTATIN-3, SHISTOSTATINE-6 AND ALLATOSTATINE-4 MOLECULES СРАВНИТЕЛЬНЫЙ АНАЛИЗ ПРОСТРАНСТВЕННОЙ СТРУКТУРЫ МОЛЕКУЛ LEU-ГАЛЛАТОСТАТИНА-4, ДРОСТАТИНА-3, ШИСТОСТАТИНА-6 И АЛЛАТОСТАТИНА-4 Велиева Л И Veliyeva L I Lala_Veliyeva@rambler.ru Алиев Р Э Aliyev R E Бакинский Государственный Университет ru Baku State University ru Бакинский Государственный Университет ru Baku State University ru 25 03 2018 25 03 2018 3 1 68 71 20 03 2018 20 03 2018 https://rusjbpc.ru/en/nauka/article/54247/view

Одной из актуальных проблем в современной науке является поиск и целенаправленный синтез соединений, используемых для регуляции численности вредителей сельскохозяйственных культур. К числу таких соединений относятся молекулы Leu-галлатостатин-4, дростатин-3, шистостатин-6 и аллатостатин-4, которые принадлежат семейству аллатостатинов и играют ключевую роль в регуляции процессов синтеза и выделения ювенильных гормонов у различных видов насекомых, в частности, Calliphora Vomitoria, Drosophilla melanogaster, Shistostocerca gregaria. Важную роль в реализации функций аллатостатинов играют их конформационные свойства и трехмерная пространственная организация, изучение которых необходимо для понимания механизмов функционирования этих соединений на молекулярном уровне. В данной работе методами теоретического конформационного анализа и молекулярной динамики и на основе поэтапного подхода, проведено исследование пространственной структуры, конформационных свойств и подвижность боковых цепей этих соединений.

One of the urgent problems in contemporary science is the searching and targeted synthesis of compounds, which is used to regulate the number of pests of agricultural crops. The molecules Leu-gallatostatin-4, drostatin-3, schistostatin-6 and allatostatin-4, which belong to the family of allatostatin and play a key role in regulating the processes of synthesis and isolation of juvenile hormones in various insect species, in particular, Calliphora Vomitoria, Drosophilla melanogaster, Shistostocerca gregaria are among these compounds. An important role in the realization of the functions of allatostatin is played by their conformational properties and three-dimensional spatial organization, the study of which is necessary for understanding the mechanisms of the functioning of these compounds at the molecular level. In this paper, methods of theoretical conformational analysis and molecular dynamics and based on a step-by-step approach are used to study the spatial structure, conformational properties, and mobility of the side chains of these compounds.

 нейропептиды структура конформационный анализ молекулярная динамика neuropeptides structure conformational analysis molecular dynamics

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