Investigation of Proton and Sodium Ion Affinities of Topiramate (anticonvulsant drug) by DFT Calculations

Yıl 2017, Cilt: 1 Sayı: 2, 1 - 5, 15.12.2017

Hamid Saeidian

Öz

The
proton and sodium ion affinities of Topiramate has been investigated by DFT
approach. The most basic site for protonation on Topiramate is nitrogen atom of
sulfamate group.  It is also interesting
that sodium ion affinity of Topiramate was determined as 670 kJ mol-1
is less than its proton ion affinity. Because of the limited understanding of the biological
molecular mechanism of Topiramate, these results might devise a clear
understanding of the role of Topiramate in blockade of voltage-dependent sodium
channels in biological systems.

Anahtar Kelimeler

Topiramate, anticonvulsant drug, DFT calculation, sodium ion affinity, Theoretical chemistry

Kaynakça

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