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Investigation Of Structure-Activity Relationships With Molecular Docking For Some Antiepileptic Drugs And Voltage-Gated Calcium (CaV) Channels    
Yazarlar (3)
Esra Nur Çakmak
Prof. Dr. Mahmut GÜR Prof. Dr. Mahmut GÜR
Kastamonu Üniversitesi, Türkiye
Bayram Kıran
Türkiye
Devamını Göster
Özet
In the study, the active drugs molecules used in the treatment of convulsive seizures occurring in epilepsy disease were used. These molecules; Vigabatrin, Lokosamidin, Zonisamide, Oxcarbazepine, Levetiracetam, Tiagabin, Topiramate, Lamotrigine, Gabapentin, Felbamate, Ethosuximide, Valproic Acid, Mesuximide, Ethotoin, Primidone, Trimethadion, Phenytoin, Remasemide, Mephenytoin. These molecules have been selected considering the physiopathological mechanisms of action of epilepsy. Since the selected molecules are used as a potential antiepileptic agent, they were deemed suitable for molecular insertion studies. In addition, voltage-gated calcium channels, which play an important role in epilepsy, are emphasized. Voltage-gated calcium channels (CaV) act by providing the flow of Ca+ ions during the action potential that triggers seizure formation, and among the ten subtypes of voltage-gated calcium (CaV) channels, CaV3.1- CaV3.3, T-type or abnormal activities are associated with epilepsy, psychiatric form the associated low-voltage-activated subfamily. For this reason, the PDB ID: 6KZP receptor, which acts as an antagonist according to its activity on the channel in the formation of epileptic seizures, was chosen for the molecular insertion study. As a result of molecular placement studies; Oxcarbazepine and Phenytoin gave the best binding affinity for 6KZP with a value of -7.5 kcal/mol. Other results are in descending order (in kcal/mol); Tiagabine (-7.4), Mesuximide (-7.3), Primidone (-7.1), Remacemide (-7.0), Topiramate (-6.9) Mephenytoin (-6.7), Lomotrigine and Ethotoin (-6.4), Locosamide and Zonisamide (-6.1) , Felbamate …
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü Diğer hakemli uluslarası dergilerde yayınlanan tam makale
Dergi Adı Kastamonu University Journal of Engineering and Sciences
Dergi ISSN 2667-8209
Dergi Tarandığı Indeksler index copernicus
Makale Dili İngilizce
Basım Tarihi 06-2022
Cilt No 8
Sayı 1
Sayfalar 28 / 53
Doi Numarası 10.55385/kastamonujes.1094129
Makale Linki http://dx.doi.org/10.55385/kastamonujes.1094129