nnpNeurology, Neuropsychiatry, PsychosomaticsНеврология, нейропсихиатрия, психосоматика2074-27112310-1342"IMA-Press", LLC10.14412/2074-2711-2016-2-44-49nnp-607Research ArticleORIGINAL INVESTIGATIONSОРИГИНАЛЬНЫЕ ИССЛЕДОВАНИЯ И МЕТОДИКИEffects of etifoxine: Chemoreactome simulationЭффекты этифоксина (хемореактомное моделирование)ТоршинИ. Ю.TorshinI. Yu.

141700, Московская область, Долгопрудный, Институтский пер., 9

9, Institutskiy Lane, Dolgoprudnyi, Moscow Region 141700

ГромоваО. А.GromovaO. A.

153000, Иваново, Шереметевский пр., 8

8, Sheremetevsky Passage., Ivanovo 153000

unesco.gromova@gmail.comФедотоваЛ. Э.FedotovaL. E.

153000, Иваново, Шереметевский пр., 8

8, Sheremetevsky Passage., Ivanovo 153000

ГромовА. Н.GromovA. N.

119333, Москва, ул. Вавилова, 44/2

44/2, Vavilov St., Moscow 119333 

ГБОУ ВПО «Московский физико-технический институт», ДолгопрудныйРоссияMoscow Institute of Physics and Technology, DolgoprudnyiRussian FederationГБОУ ВПО «Ивановская государственная медицинская академия» Минздрава России, ИвановоРоссияIvanovo State Medical Academy, Ministry of Health of Russia, IvanovoRussian FederationФГБУ Федеральный исследовательский центр «Информатика и управление» РАН, МоскваРоссияFederal Research Center «Information Science and Management», Russian Academy of Sciences», MoscowRussian Federation201616072016824449Copyright © Torshin I.Y., Gromova O.A., Fedotova L.E., Gromov A.N., 20162016Торшин И.Ю., Громова О.А., Федотова Л.Э., Громов А.Н.Torshin I.Y., Gromova O.A., Fedotova L.E., Gromov A.N.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nnp.ima-press.net/nnp/article/view/607

Etifoxine modulates GABAergic transmission and is used as an anxiolytic (anti-anxiety) medication. The indications for etifoxine use are anxiety, fear and inner tension.

Objective

Objective: to simulate the biological properties of etifoxine. This simulation has been carried out for the first time.

Material and methods

Material and methods. Reliable estimates of more than 2,500 biological activities were obtained for this molecule, which were compared with the reference drug lorazepam (benzodiazepine).

Results and discussion

Results and discussion. The data obtained from chemoreactome simulation may suggest that there are significant differences between the pharmacological effects of etifoxine and benzodiazepine in: 1) the selectivity of binding to various neurotransmitter receptors; 2) anti-inflammatory activity; 3) the effect on hemodynamics and vascular walls; 4) negative side effects and 5) pharmacokinetic parameters.

Conclusion

Conclusion. The findings are consistent with the available experimental and clinical data and are indicative of promising clinical applications of etifoxine. 

Этифоксин модулирует ГАМК-ергическую трансмиссию и используется как анксиолитическое (противотревожное) лекарственное средство. Показаниями для назначения этифоксина являются тревожные состояния, страх, внутреннее напряжение.

Цель исследования – провести моделирование биологических свойств этифоксина. Такое моделирование проводится впервые.

Материал и методы

Материал и методы. Для данной молекулы получены достоверные оценки более 2500 биологических активностей и проведено сравнение с контрольным препаратом лоразепамом (бензодиазепин).

Результаты и обсуждение

Результаты и обсуждение. Полученные при хемореактомном моделировании данные позволяют предположить существенные отличия между фармакологическими эффектами этифоксина и бензодиазепина: 1) в селективности связывания рецепторов различных нейротрансмиттеров; 2) в противовоспалительном действии; 3) в действии на гемодинамику и состояние стенок сосудов; 4) в наличии побочного действия и 5) в фармакокинетических параметрах.

Заключение

Заключение. Полученные результаты соответствуют имеющимся экспериментальным и клиническим данным и указывают на перспективные направления терапевтического применения этифоксина. 

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The authors declare that there are no conflicts of interest present.