Neurology, Neuropsychiatry, Psychosomatics

Advanced search

Geriatric information analysis of the molecular properties of mexidole

Full Text:


Objective: by using the pharmacoinformation profiling, to comprehensively assess all possible effects of the molecules of mexidol, choline alfoscerate, piracetam, glycine, and semax in accordance with the anatomical therapeutic and chemical (ATC) classification system.

Material and methods. Chemoreactomic, pharmacoinformation, and geriatric information analyses of the properties of the molecules are based on chemoreactomic methodology. The chemoreactomic analysis uses the information from the PubChem, HMDB, and String databases; the pharmacoinformation analysis applies the information from the international ATC classification and a combined sample of data from the Therapeutic Target Database (TTD), SuperTarget, Manually Annotated Targets and Drugs Online Resource (MATADOR), and Potential Drug Target Database (PDTD); geriatric information analysis employs the data on the geroprotective effect of individual substances from the PubChem database and the data available in the literature data on geroprotection from the PubMed database, which have been collected through the artificial intelligence system.

Results and discussion. Mexidol is characterized by the maximum set of positive effects (the drug is used to treat CNS and cardiovascular diseases and metabolic disorders and has anti-inflammatory and anti-infective properties, etc.). Mexidol and glycine are predicted to cause the lowest frequency of adverse reactions, such as itching, constipation, paresthesia, vomiting, etc. Geriatric information assessments of changes in the life span of model organisms have shown that mexidol contributes to the higher life expectancy of C. elegans (by 22.7±10%), Drosophila (by 14.4±15%), and mice (by 14.6±3%); the control drugs do by no more than 6.1%.

Conclusion. The results of the study indicate that mexidol has a high potential to be used as a geroprotector.

About the Authors

O. A. Gromova
Ivanovo State Medical Academy Federal Research Center «Informatics and Control», Russian Academy of Sciences
Russian Federation

8, Sheremetevsky Pr., Ivanovo 153000

40, Vavilov St., Moscow 119333

I. Yu. Torshin
Federal Research Center «Informatics and Control», Russian Academy of Sciences
Russian Federation
40, Vavilov St., Moscow 119333

L. E. Fedotova
Ivanovo State Medical Academy
Russian Federation
8, Sheremetevsky Pr., Ivanovo 153000


1. Folch J, Busquets O, Sanchez-Lopez ME, et al. Experimental models for aging and their potential for novel drug discovery. Curr Neuropharmacol. 2017 Jul 7. doi: 10.2174/1570159X15666170707155345. [Epub ahead of print]

2. Громова ОА, Торшин ИЮ. Витамин D: смена парадигмы. Москва: ГЭОТАР Медиа; 2016. [Gromova OA, Torshin IYu. Vitamin D: smena paradigmy [Vitamin D: a paradigm shift]. Moscow: GEOTAR Media; 2016.]

3. Воронина ТА. Мексидол: спектр фармакологических эффектов. Журнал неврологии и психиатрии им. C.C. Корсакова. 2012;112(12):86-90. [Voronina TA. Mexidol: spectrum of pharmacological effects. Zhurnal nevrologii i psikhiatrii im. S.S. Korsakova. 2012;112(12):86- 90. (In Russ.)].

4. Торшин ИЮ, Громова ОА, Сардарян ИС, Федотова ЛЭ. Сравнительный хемореактомный анализ мексидола. Журнал неврологии и психиатрии им. C.C. Корсакова. 2017;117(1-2):75-83. [Torshin IYu, Gromova OA, Sardaryan IS, Fedotova LE. A comparative chemoreactome analysis of mexidol. Zhurnal nevrologii i psikhiatrii im. S.S. Korsakova. 2017;117(1-2):75-83. (In Russ.)].

5. Стаховская ЛВ, Шамалов НА, Хасанова ДР и др. Результаты рандомизированного двойного слепого мультицентрового плацебо-контролируемого в параллельных группах исследования эффективности и безопасности мексидола при длительной последовательной терапии у пациентов в остром и раннем восстановительном периодах полушарного ишемического инсульта (ЭПИКА). Журнал неврологии и психиатрии им. C.C. Корсакова. 2017;117(3-2):55-65. [Stakhovskaya LV, Shamalov NA, Khasanova DR, et al. Results of a randomized double blind multicenter placebo-controlled, in parallel groups trial of the efficacy and safety of prolonged sequential therapy with mexidol in the acute and early recovery stages of hemispheric ischemic stroke (EPICA). Zhurnal nevrologii i psikhiatrii im. S.S. Korsakova. 2017;117 (3-2):55-65. (In Russ.)].

6. Torshin IYu. Bioinformatics in the postgenomic era: physiology and medicine. New York: NovaBiomedicalBooks; 2007.

7. Журавлeв ЮИ, Рудаков КВ, Торшин ИЮ. Алгебраические критерии локальной разрешимости и регулярности как инструмент исследования морфологии аминокислотных последовательностей. Труды МФТИ. 2011;3(4):67-76. [Zhuravlev YuI, Rudakov KV, Torshin IYu. Algebraic criteria for local solvability and regularity as a tool to investigate the morphology of amino acid sequences. Trudy MFTI. 2011;3(4):67-76. (In Russ.)].

8. Рудаков КВ, Торшин ИЮ. Об отборе информативных значений признаков на базе критериев разрешимости в задаче распознавания вторичной структуры белка. ДАН. 2011;(1):1-5. [Rudakov KV, Torshin IYu. On the selection of informative characteristic values on the basis of criteria of solvability in the problem of protein secondary structure recognition. DAN. 2011;(1):1-5. (In Russ.)].

9. Торшин ИЮ, Громова ОА. Экспертный анализ данных в молекулярной фармакологии. Москва: МЦНМО; 2012. 768 с. [Torshin IYu, Gromova OA. Ekspertnyi analiz dannykh v molekulyarnoi farmakologii [Expert data analysis in molecular pharmacology]. Moscow: MTsNMO; 2012. 768 p.]

10. Bolton E, Wang Y, Thiessen PA, Bryant SH. PubChem: Integrated Platform of Small Molecules and Biological Activities. In: Annual Reports in Computational Chemistry. Volume 4. Washington, DC: American Chemical Society; 2008.

11. Wishart DS, Tzur D, Knox C, et al. HMDB: the Human Metabolome Database. Nucleic Acids Res. 2007 Jan;35(Database issue):D521-6.

12. Mering C, Jensen L, Snel B, et al. STRING: known and predicted protein–protein associations, integrated and transferred across organisms. Nucleic Acids Res. 2005;33(Database issue):D433-7.

13. Chen X, Yan C, Zhang X. Drug–target interaction prediction: databases, web servers and computational models. Brief Bioinform. 2016 Jul;17(4):696-712. doi: 10.1093/bib/bbv066. Epub 2015 Aug 17.

14. Синеглазова АВ, Волчегорский ИА. Влияние мексидола на качество жизни и депрессивную симптоматику у женщин, пациентов с ревматоидным артритом. Экспериментальная и клиническая фармакология. 2013;76(1):7-10. [Sineglazova AV, Volchegorskii IA. The effect of Mexidol on the quality of life and depressive symptoms in women patients with rheumatoid arthritis. Eksperimental'naya i klinicheskaya farmakologiya. 2013;76(1):7-10. (In Russ.)].

15. Шутова МИ, Козлов СА, Захватов АН и др. Экспериментальное обоснование эффективности антиоксидантной терапии посттравматического артрита. Бюллетень экспериментальной биологии и медицины. 2013;(2):148-50. [Shutova MI, Kozlov SA, Zakhvatov AN, et al. Experimental study of the effectiveness of antioxidant therapy for posttraumatic arthritis. Byulleten' eksperimental'noi biologii i meditsiny. 2013;(2):148-50. (In Russ.)].

16. Arenz S, Wilson DN. Blast from the Past: Reassessing Forgotten Translation Inhibitors, Antibiotic Selectivity, and Resistance Mechanisms to Aid Drug Development. Mol Cell. 2016 Jan 7;61(1):3-14. doi: 10.1016/j.molcel.2015.10.019. Epub 2015 Nov 12.

17. Казарина ЛН, Вдовина ЛВ, Дубровская ЕН. Влияние препарата мексидол на состояние перекисного окисления липидов и активность антиоксидантной системы жидкости в полости рта у пациентов хроническим генерализованным пародонтитом и артериальной гипертензией. Стоматология. 2010;89(2):18-21. [Kazarina LN, Vdovina LV, Dubrovskaya EN. The influence of Mexidol on the state of lipid peroxidation and activity of antioxidant system of the liquid in the oral cavity in patients with chronic generalized periodontitis and hypertension. Stomatologiya. 2010;89(2):18-21. (In Russ.)].

18. Жигулина ВВ. Оценка эффективности мексидола в лечении экспериментального гингивита. Вестник Тверского государственного университета. 2015;(2):153-61. [Zhigulina VV. Assessment of efficacy of Mexidol in the treatment of experimental gingivitis. Vestnik Tverskogo gosudarstvennogo universiteta. 2015;(2):153-61. (In Russ.)].

For citation:

Gromova O.A., Torshin I.Y., Fedotova L.E. Geriatric information analysis of the molecular properties of mexidole. Neurology, Neuropsychiatry, Psychosomatics. 2017;9(4):46-54. (In Russ.)

Views: 186

Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 License.

ISSN 2074-2711 (Print)
ISSN 2310-1342 (Online)