Comparative chemoreactic analysis of Mexidol

Authors:
TORSHIN I.YU. ^1*, GROMOVA O.A. ^2*, SARDARYAN I.S. ^3*, FEDOTOVA L.E.^3*

^1* Moscow Institute of Physics and Technology, Dolgoprudny, Russia;
^2* Ivanovo State Medical Academy of the Ministry of Health of the Russian Federation, Ivanovo, Russia;
^3* Saint Petersburg State Pediatric University of the Ministry of Health of the Russian Federation, Saint Petersburg, Russia

Place of publication:
JOURNAL OF NEUROLOGY AND PSYCHIATRY, 1, 2017; ISSUE 2

Abstract:
Objective of the study. Comparative chemoreactome analysis of the mexidol molecule (ethyl methylhydroxypyridine succinate) with control molecules (choline alfoscerate, piracetam, glycine, semax). Material and methods. The chemical structure of mexidol was compared with molecules in the human metabolome database and molecules in drug databases. More than 40,000 compounds listed in the HMDB (Human Metabolome Database) were used as a model of the human metabolome. Results and conclusion. Chemoreactome analysis showed that mexidol can be an agonist of acetylcholine and GABA-A receptors; an anti-inflammatory agent, the effects of which occur due to the inhibition of the synthesis of proinflammatory prostaglandins; a neuroprotective agent with neurotrophic properties; a coagulation inhibitor; a hypoglycemic and lipid-lowering agent. Mexidol differs from comparison molecules by its more pronounced safety profile (lesser effects on serotonin, dopamine, and adrenergic receptors, and less interaction with cardiac potassium channels, MAO enzymes, and cytochrome P450). Modeling results allow us to clarify the mechanism of action of the Mexidol molecule at the molecular level.