Geronto -informational analysis of the properties of the Mexidol molecule

Authors:
GROMOVA O.A. ^1.2*, TORSHIN I.Yu.^2*, FEDOTOVA L.E. ^1*

^1* Federal State Budgetary Educational Institution of Higher Education "Ivanovo State Medical Academy", Ivanovo;
^2* Federal Research Center "Informatics and Control" of the Russian Academy of Sciences, Moscow

Place of publication:
NEUROLOGY, NEUROPSYCHIATRY, PSYCHOSOMATICS, 2017, No. 9

Abstract:
The aim of the study was a comprehensive assessment using pharmacoinformatic profiling of all possible effects of the molecules mexidol, choline alfoscerate, piracetam, glycine, and semax in accordance with the anatomical-therapeutic-chemical classification. Material and methods. Chemoreactome, pharmacoinformatic, and gerontoinformatic analyses of the properties of molecules are based on the chemoreactome methodology. For the chemoreactome analysis, information from the PubChem, HMDB, and String databases was used; for the pharmacoinformatic analysis, information from the international ATX classification and a combined data set from the TTD (Therapeutic target database), SuperTarget, MATADOR (Manually Annotated Targets and Drugs Online Resource), and PDTD (Potential Drug Target Database) databases; For gerontoinformational analysis – data on the geroprotective effect of individual substances from the PubChem database and literature data on geroprotection from the PubMed database, collected using the artificial intelligence system. Results and discussion. Mexidol is characterized by the maximum set of positive effects (a drug for the treatment of central nervous system diseases, cardiovascular pathology, metabolic disorders, with anti-inflammatory and anti-infective properties, etc.). Mexidol and glycine are predicted to have the lowest frequencies of such side effects as itching, constipation, paresthesia, vomiting, etc. Gerontoinformational assessments of changes in the lifespan of model organisms showed that Mexidol contributes to an increase in the average lifespan of C. elegans (by 22.7±10%), Drosophila (by 14.4±15%) and mice (by 14.6±3%, control drugs - no more than 6.1%). Conclusion. The results of the study indicate the high potential of Mexidol for use as a geroprotector.