[A comparative chemoreactome analysis of mexidol].
Torshin. I Yu IY; Gromova. O A OA; Sardaryan. I S IS; Fedotova. L E LE
Key Findings
- Mexidol may act as an agonist at acetylcholine and GABA‑A receptors.
- It is predicted to have anti‑inflammatory effects by blocking pro‑inflammatory prostaglandin synthesis.
- The model suggests neurotrophic, neuroprotective, anticoagulant, antidiabetic, and hypolipidemic actions.
- Safety profile appears better than semax, piracetam, choline alfoscerate, and glycine, with less impact on serotonin, dopamine, adrenergic receptors, cardiac potassium channels, MAO, and P450 enzymes.
Practical Outcomes
- For biohackers, mexidol looks like a promising multi‑target compound that could support cognition, metabolism, and cardiovascular health with a relatively low risk of drug‑drug interactions. However, the findings are based on in‑silico predictions, so real‑world dosing, efficacy, and safety still need clinical testing before it can be reliably added to self‑experiment protocols.
Summary
The study used computer modeling to compare the drug mexidol with a few brain‑active compounds (including the peptide semax). It predicts that mexidol could boost acetylcholine and GABA‑A activity, reduce inflammation, protect neurons, thin blood, help control blood sugar, and lower lipids, while showing fewer interactions with heart potassium channels, MAO, and liver enzymes than the comparators.
Abstract
To compare mexidol with control molecules (choline alfoscerate, piracetam, glycine, semax) using chemoreactome analysis. The chemical structure of mexidol was compared to molecule metabolites extracted from the Human Metabolome Database (HMDB) and a drug database. More than 40 000 of metabolites from HMDB were used as a model of human metabolome. The 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. Compared to 'control' molecules, mexidol has 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, MAO and P450 cytochromes). The results of modeling allow to specify the mechanisms of action of mexidol at the molecular level.
Study Information
pubmed
2017
10.17116/jnevro20171171275-84
23
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