akusherstvoObstetrics, Gynecology and ReproductionАкушерство, Гинекология и Репродукция2313-73472500-3194IRBIS LLC10.17749/2313-7347/ob.gyn.rep.2020.152akusherstvo-729Research ArticleREVIEW ARTICLESНАУЧНЫЕ ОБЗОРЫChemoreactome analysis of 7-hydroxymatairesinol, 17-estradiol, phytoestrogen β-sitosterol and epigallocatechin-3-gallateХемореактомный анализ 7-гидроксиматаирезинола, 17-эстрадиола, фитоэстрогена β-ситостирола и эпигаллокатехин-3-галлатаhttps://orcid.org/0000-0002-2659-7998ТоршинИ. Ю.TorshinI. Yu.

Торшин Иван Юрьевич – к.ф-м.н., к.х.н., старший научный сотрудник; старший научный сотрудник Центра хранения и анализа больших данных

Scopus Author ID: 7003300274

Researcher ID: C-7683-2018

Author ID: 54104

WOS ID: C-7683-2018

119333 Москва, ул. Вавилова, д. 42

119234 Москва, Ленинские горы, д. 1

Ivan Yu. Torshin – PhD (Chemistry), PhD in Applied Mathematics, Senior Researcher, Senior Researcher, Big Data Storage and Analysis Center

42 Vavilova Str., Moscow 119333

1 Leninskie gory, Moscow 119234

Scopus Author ID: 7003300274

Researcher ID: C-7683-2018

Author ID: 54104

WOS ID: C-7683-2018

РубашкинаА. Н.RubashkinaA. N.

Рубашкина Анна Николаевна – аспирант кафедры онкологии, акушерства и гинекологии

153012 Иваново, Шереметьевский пр., д. 8

Anna N. Rubashkina – MD, Postgraduate Student, Department of Oncology, Obstetrics and Gynecology

8 Sheremetyevskiy Ave., Ivanovo 153012

https://orcid.org/0000-0001-6722-2810ЛапочкинаН. П.LapochkinaN. P.

Лапочкина Нина Павловна – д.м.н., доцент кафедры онкологии, акушерства и гинекологии

153012 Иваново, Шереметьевский пр., д. 8

Nina P. Lapochkina – МD, Dr Sci Med, Associate Professor, Department of Oncology, Obstetrics and Gynecology

8 Sheremetyevskiy Ave., Ivanovo 153012

https://orcid.org/0000-0002-7663-710XГромоваО. А.GromovaO. A.

Громова Ольга Алексеевна – д.м.н., профессор, ведущий научный сотрудник, научный руководитель, ведущий научный сотрудник Центра хранения и анализа больших данных

119234 Москва, Ленинские горы, д. 1

Scopus Author ID: 7003589812

Researcher ID: J-4946-2017

Author ID: 94901

WOS ID: J-4946-2017

Olga A. Gromova – MD, Dr Sci Med, Professor, Leading Researcher, Scientific Director; Leading Researcher, Big Data Storage and Analysis Center

42 Vavilova Str., Moscow 119333

1 Leninskie gory, Moscow 119234

Scopus Author ID 7003589812

Researcher ID: J-4946-2017

Author ID: 94901

WOS ID: J-4946-2017

unesco.gromova@gmail.comИнститут фармакоинформатики ФГБУ «Федеральный исследовательский центр "Информатика и управление" Российской академии наук»; Центр хранения и анализа больших данных ФГБОУ ВО «Московский государственный университет имени М.В. Ломоносова»РоссияInstitute of Pharmacoinformatics, Federal Research Center «Informatics and Management», Russian Academy of Sciences; Big Data Storage and Analysis Center, Lomonosov Moscow State UniversityRussian FederationФГБОУ ВО «Ивановская государственная медицинская академия» Министерства здравоохранения Российской ФедерацииРоссияIvanovo State Medical Academy, Health Ministry of Russian FederationRussian Federation202021072020143347360Copyright © Torshin I.Y., Rubashkina A.N., Lapochkina N.P., Gromova O.A., 20202020Торшин И.Ю., Рубашкина А.Н., Лапочкина Н.П., Громова О.А.Torshin I.Y., Rubashkina A.N., Lapochkina N.P., Gromova O.A.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://www.gynecology.su/jour/article/view/729

The results of the evaluation of 7-hydroximatairesinol (7-HMR) properties in comparison with control molecules (17-estradiol, phytoestrogen β-sytostirol, epigallocatechin-3-gallate) are presented. The results of chemoreactomic modeling allowed to formulate the molecular mechanisms of 7-HMR pharmacological effects for anti-inflammatory (inhibition of 5-lipoxygenase, matrix metalloproteinase MMR2, mitogen-activated kinase p38-alpha, leukotriene-b4 receptor, prostacyclin receptor), antitumor (antioxidant effect due to inhibition of hemoxygenase-2, inhibition of cyclin dependent kinases 3 and 4, epidermis growth factor, protein mTOR), vasodilator (inhibition of adrenoreceptors and renin), antibacterial and antiviral (inhibition of viral proteases 3C) properties of 7-HMR molecule.

Представлены результаты оценок свойств 7-гидроксиматаирезинола (7-ГМР) в сравнении с контрольными молекулами (17-эстрадиол, фитоэстроген β-ситостирол, эпигаллокатехин-3-галлат). Результаты хемореактомного моделирования позволили сформулировать молекулярные механизмы осуществления фармакологических эффектов 7-ГМР для противовоспалительных (ингибирование 5-липоксигеназы, матриксной металлопротеиназы ММР2, митоген-активируемой киназы p38-альфа, рецептора лейкотриена b4, рецептора простациклина), противоопухолевых (антиоксидантный эффект за счёт ингибирования гемоксигеназы-2, ингибирование циклин-зависимых киназ 3 и 4, фактора роста эпидермиса, белка mTOR), вазодилаторных (ингибирование адренорецепторов и ренина), антибактериальных и противовирусных (ингибирование вирусных протеаз 3C) свойств молекулы 7-ГМР.

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