Molecular Insertion Study with Some Antiepileptic

Abstract

This study includes the structure-activity relationship of active molecules that are commonly used in the treatment of convulsive seizures in epileptic diseases. The molecules chosen in the study due to their role as antiepileptic agents and according to their physiopathological mechanisms of action are: Vigabatrin, Lokosamidine, Gabapentin, Primidone. In addition, the NMDA receptor, which is effective in epileptic seizures, has been studied. With the overstimulation of NMDA receptors, the active sites of NMDA receptors act as high conduction channels by allowing Na+ and Ca+2 to enter target cells. Therefore, the PDB ID:5UN1 receptor was considered suitable for molecular insertion study as it acts as an antagonistic effect according to its activity on the channel in case of epileptic seizure formation. The result of the molecular docking analysis showed that Primidone gave the best binding affinity for 5UNA with a value of -6,4 kcal/mol. Other analyzes in descending order (in kcal/mol); Locosamide (-6,1), Gabapentin (-5,6), Vigabatrin (-5,1), Levetiracetam (-4,9), were determined.