Mazák Károly, Dóczy Veronika, Kökösi József, Noszál Béla
Semmelweis University, Institute of Pharmaceutical Chemistry, Hogyes E. u. 9, H-1092 Budapest.
Chem Biodivers. 2009 Apr;6(4):578-90. doi: 10.1002/cbdv.200800087.
Protonation equilibria of the neurotransmitter serotonin and its precursor 5-hydroxytryptophan (5-HTP) are characterized at the macroscopic and microscopic levels. 1H-NMR-pH and UV-pH titrations were carried out to determine the macroconstants. Microconstants were obtained by appropriate combination of interactivity parameters and model compounds, allowing the calculation of all the twelve microconstants, the eight microspecies concentrations, and three site-interactivity parameters of 5-HTP, for which no microconstants have been reported earlier. NMR-pH Profiles, macro- and microscopic protonation schemes, and species-specific distribution diagrams are presented. The physicochemical data obtained can help to understand the steric and electronic features governing the selectivity of binding and to design new therapeutic agents.
神经递质血清素及其前体5-羟色氨酸（5-HTP）的质子化平衡在宏观和微观层面得到了表征。进行了¹H-NMR-pH和UV-pH滴定以确定宏观常数。通过相互作用参数和模型化合物的适当组合获得微观常数，从而能够计算5-HTP的所有十二个微观常数、八个微物种浓度以及三个位点相互作用参数，此前尚未有关于这些微观常数的报道。给出了NMR-pH图谱、宏观和微观质子化方案以及物种特异性分布图。所获得的物理化学数据有助于理解控制结合选择性的空间和电子特征，并有助于设计新的治疗药物。
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