Fateminasab F, Bordbar A K, Shityakov S
Department of Chemistry, University of Isfahan, Isfahan, 8174673441, Iran.
Department of Anesthesia and Critical Care, University of Wurzburg, 97080, Wurzburg, Germany.
Heliyon. 2019 Apr 9;5(4):e01405. doi: 10.1016/j.heliyon.2019.e01405. eCollection 2019 Apr.
In this study, we analyzed the capability of unmodified β-cyclodextrin (β-CD) to form the stable complex with serotonin hydrochloride (SER), as an important neurotransmitter in the brain. The stable β-CD: SER formulation was prepared and characterized using spectroscopic, thermal, molecular docking, and molecular dynamics techniques, revealing the phenomenon of H-bond formations and the domination of hydrophobic forces between the host molecule and its guest via the amine group of SER and the narrow side of β-CD. The complexation mechanism was mainly enthalpy-driven, representing the improvement in SER photo-stability. Overall, the results highlighted the possibility to use this formulation with improved stability in clinical practice for treatment and prevention of various depressive conditions, such as anxiety disorders.
在本研究中，我们分析了未修饰的β-环糊精（β-CD）与作为大脑中重要神经递质的盐酸血清素（SER）形成稳定复合物的能力。制备了稳定的β-CD:SER制剂，并使用光谱、热分析、分子对接和分子动力学技术对其进行了表征，揭示了氢键形成现象以及主体分子与其客体之间通过SER的胺基和β-CD的窄侧产生的疏水作用力主导作用。络合机制主要由焓驱动，这表明SER的光稳定性有所提高。总体而言，结果突出了在临床实践中使用这种具有更高稳定性的制剂来治疗和预防各种抑郁状况（如焦虑症）的可能性。
