In-Silico Evaluation of Tetramethyl-Pyrazine: Treating Recurring Seizures

Epilepsy, a chronic neurological disorder characterized by recurrent seizures, remains a challenging condition to treat due to the limited availability of potent and safe molecules. This study explores Tetramethyl-pyrazine (TMP) as a potential scaffold for epilepsy treatment, leveraging its diverse pharmacological properties. Utilizing structure-based virtual screening, we identified 300 active ligands from a virtual chemical library of 4427 compounds, narrowing down to the top 7 potential ligands for GABA-AT inhibitor properties based on binding energy, drug-likeness, non-covalent interactions, and toxicity. Our results revealed a compound (PubChem ID 227746) with high binding affinity to protein 4MS4, strong interactions within the active site, and favorable pharmacokinetic and toxicological properties, suggesting TMPz holds promise as an anti-epileptic agent.