Comparative chemoreactome analysis of mexidol

Abstract

The paper presents the results of chemorectome modeling of the pharmacological effects of ethylmethylhydroxypyridine succinate (mexidol) as compared to control molecules (choline alfoscerate, piracetam, glycine, semax). Chemoreactome analysis showed that mexidol may be (1) an agonist of acetylcholine and GABA-A receptors; (2) an anti-inflammatory agent, the effects of which are carried out by inhibiting the synthesis of pro-inflammatory prostaglandins; (3) a neurotrophic agent with neuroprotective properties; (4) a coagulation inhibitor; (5) a diabetes medication and (6) a hypolipidemic agent. From the “control” molecules mexidol is distinguished by a more pronounced safety profile (a lower impact on serotonin, dopamine and adrenergic receptors, a lesser degree of interaction with the potassium channels of the heart, with the MAO enzyme and with the P450 cytochromes). The results of the chemoreactome modeling allowed us to formulate the mechanisms of action of mexidol at the molecular level.

Keywords

• мексидол
• нейропротекция
• хемореактомный анализ
• хемоинформатика
• прогнозирование
• mexidol
• neuroprotection
• chemoreactome analysis
• chemoinformatics
• forecasting