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Geriatric information analysis of the molecular properties of mexidole

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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


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For citations:

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

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