Investigation of Proton and Sodium Ion Affinities of Topiramate (anticonvulsant drug) by DFT Calculations
Investigation of Proton and Sodium Ion Affinities of Topiramate (anticonvulsant drug) by DFT Calculations
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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- [1]. Spina E, Perugi G. Epileptic Disord. 2004;6:57.
- [2]. Trimble MR, New Anticonvulsants Advances in the Treatment of Epilepsy, Wiley, New York, 1994.
- [3]. Brodi MJ. Lancet. 1990;336:93.
- [4]. Saeidian H, Abdoli M, Mirjafary Z. Synthesis. 2015;47:105.
- [5]. Abdoli M, Saeidian H. J Sulfur Chem. 2015;36:556.
- [6]. Saeidian, H. Abdoli, M. J Sulfur Chem. 2015;36:463.
- [7]. Shank R P, Gordoeki JF. J Streter Epilepsia.. 2000;41:53.
- [8]. Winum JW, Scozzafava A, Montero JL, Supuran KT. Med Res Rev. 2005;25:186.
- [9]. Shank RP, Gardocki JF, Vaught JL, Davis CB, Schupsky JJ, Raffa RB, Dodgson, SJ, Nortey SO, Maryanoff BE. Epilepsia. 1994;35:450.
- [10]. Rosenfeld WE. ClinTher. 1997;19:1294.
- [11]. Zullino DF, Krenz S, Besson J. J Clin Psych. 2003;64:219.
- [12]. Kwan P, Sills GJ, Brodie MJ. Pharmacol Therapeut. 2001;90;21.
- [13]. Taverna S, Sancini G, Mantegazza M, Franceschetti S, Avanzini G. J Pharmacol Exp Ther. 1999;88:960.
- [14]. Cowan J. A, Inorganic Biochemistry: An Introduction, 2th ed., Wiley-VCH, New York, 1997.
- [15]. Kaim W, Schwederski B. Bioinorganic Chemistry: Inorganic Elements in the Chemistry of Life: An Introduction and Guide, Wiley, New York, 1994, p. 267.
- [16]. Michell AR. The clinical biology of sodium: the physiology and pathophysiology of sodium in mammals, Oxford, UK, 1995, p. 16.
- [17]. Frisch, MJ. et al. Gaussian, Inc., Wallingford CT, Gaussian 03, Revision E.01, Gaussian, Inc., Pittsburgh PA, 2003.
- [18]. Ghiasi M, Oskouie A. A, Saeidian H. Carbohyd Res. 2012;348;47.
- [19]. Ghiasi M, Kamalinahad S, Arabieh M, Zahedi M. Carbohydrate Res. 2012;992;59.
- [20]. Shakourian-Fard M, Fattahi A, Jamshidi Z. J Phys Org Chem. 2012;25;153.
- ISSN: 2587-1722
- Başlangıç: 2017
- Yayıncı: Koray SAYIN