TY - JOUR T1 - Investigation of Proton and Sodium Ion Affinities of Topiramate (anticonvulsant drug) by DFT Calculations AU - Saeidian, Hamid PY - 2017 DA - December JF - Turkish Computational and Theoretical Chemistry JO - Turkish Comp Theo Chem (TC&TC) PB - Koray SAYIN WT - DergiPark SN - 2587-1722 SP - 1 EP - 5 VL - 1 IS - 2 LA - en AB - Theproton and sodium ion affinities of Topiramate has been investigated by DFTapproach. The most basic site for protonation on Topiramate is nitrogen atom ofsulfamate group. It is also interestingthat sodium ion affinity of Topiramate was determined as 670 kJ mol-1is less than its proton ion affinity. Because of the limited understanding of the biologicalmolecular mechanism of Topiramate, these results might devise a clearunderstanding of the role of Topiramate in blockade of voltage-dependent sodiumchannels in biological systems. KW - Topiramate KW - anticonvulsant drug KW - DFT calculation KW - sodium ion affinity KW - Theoretical chemistry CR - [1]. Spina E, Perugi G. Epileptic Disord. 2004;6:57. CR - [2]. Trimble MR, New Anticonvulsants Advances in the Treatment of Epilepsy, Wiley, New York, 1994. CR - [3]. Brodi MJ. Lancet. 1990;336:93. CR - [4]. Saeidian H, Abdoli M, Mirjafary Z. Synthesis. 2015;47:105. CR - [5]. Abdoli M, Saeidian H. J Sulfur Chem. 2015;36:556. CR - [6]. Saeidian, H. Abdoli, M. J Sulfur Chem. 2015;36:463. CR - [7]. Shank R P, Gordoeki JF. J Streter Epilepsia.. 2000;41:53. CR - [8]. Winum JW, Scozzafava A, Montero JL, Supuran KT. Med Res Rev. 2005;25:186. CR - [9]. Shank RP, Gardocki JF, Vaught JL, Davis CB, Schupsky JJ, Raffa RB, Dodgson, SJ, Nortey SO, Maryanoff BE. Epilepsia. 1994;35:450. CR - [10]. Rosenfeld WE. ClinTher. 1997;19:1294. CR - [11]. Zullino DF, Krenz S, Besson J. J Clin Psych. 2003;64:219. CR - [12]. Kwan P, Sills GJ, Brodie MJ. Pharmacol Therapeut. 2001;90;21. CR - [13]. Taverna S, Sancini G, Mantegazza M, Franceschetti S, Avanzini G. J Pharmacol Exp Ther. 1999;88:960. CR - [14]. Cowan J. A, Inorganic Biochemistry: An Introduction, 2th ed., Wiley-VCH, New York, 1997. CR - [15]. Kaim W, Schwederski B. Bioinorganic Chemistry: Inorganic Elements in the Chemistry of Life: An Introduction and Guide, Wiley, New York, 1994, p. 267. CR - [16]. Michell AR. The clinical biology of sodium: the physiology and pathophysiology of sodium in mammals, Oxford, UK, 1995, p. 16. CR - [17]. Frisch, MJ. et al. Gaussian, Inc., Wallingford CT, Gaussian 03, Revision E.01, Gaussian, Inc., Pittsburgh PA, 2003. CR - [18]. Ghiasi M, Oskouie A. A, Saeidian H. Carbohyd Res. 2012;348;47. CR - [19]. Ghiasi M, Kamalinahad S, Arabieh M, Zahedi M. Carbohydrate Res. 2012;992;59. CR - [20]. Shakourian-Fard M, Fattahi A, Jamshidi Z. J Phys Org Chem. 2012;25;153. UR - https://dergipark.org.tr/en/pub/tcandtc/issue//312262 L1 - https://dergipark.org.tr/en/download/article-file/381619 ER -