The Structure-Activity Relatıonships of Familiar Antiepileptic Drugs and Na+ Channels

Year 2022, , 89 - 102, 30.06.2022

Esra Nur Çakmak , Mahmut Gür , Bayram Kıran

https://doi.org/10.17350/HJSE19030000259

Abstract

The aim of this study is to examine the effects of drug active compounds, which are widely used in the treatment of epilepsy, on voltage-gated Na+ channels are important channels that advance the action potential in the excitation direction by molecular docking method. These molecules have been selected considering the physiopathological effect mechanisms of epilepsy disease. When the action potential is stimulated, Na+ channels allow sodium ion entry into the cell and cause epilepsy seizures. For this reason, PDB ID: 4PA6 receptor, which acts as an antagonist according to its activity on the canal in the formation of epileptic seizures, was chosen for molecular docking study. As a result of molecular docking studies; Phenytoin gave the best binding affinity for 4PA6 with a value of -7.7 kcal/mol. Other results in descending order (as kcal/mol); Mesuximide (-7.5), Remasemide (-7.3), Tiagabine (-7.1), Ethotoin and Mephenytoin (-7.0), Primidon (-6.9), Topiramate (-6.6), Oxcarbazepine and Lamotrigin (-6.3), Felbamat (-6.0), Lokosamidine (-5.9), Zonisamide (-5.8), Levetiresetam and Gabapentin (-5.7), Ethosuximide (-5.6), Trimethadion (-5.1), Valproic Acid (-5.0), Vigabatrin (-4.0), determined as.

Keywords

Anticonvulsant, Epilepsy, Moleculer Docking, Ligand, Receptor

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