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

Authors : Hamid SAEİDİAN

Pages : 1-5

View : 34 | Download : 7

Publication Date : 2017-12-15

Article Type : Research Paper

Abstract :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.
Keywords : Topiramate, anticonvulsant drug, DFT calculation, sodium ion affinity, Theoretical chemistry

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