Chandra Falguni, Dutta Tanoy, Koner Apurba L
Bionanotechnology Laboratory, Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Bhopal, India.
Front Chem. 2020 Oct 23;8:582757. doi: 10.3389/fchem.2020.582757. eCollection 2020.
pH-dependent host-guest complexation of a monoamine neurotransmitter, Serotonin, with cucurbit[7]uril has been thoroughly investigated. The binding phenomena were explored using steady-state and time-resolved fluorescence spectroscopy at different pH values. At lower pH, i.e., protonated Serotonin, the binding affinity with cucurbit[7]uril was significantly higher compared to higher pH. Furthermore, detailed NMR titration experiments depicted the solution structure of the host-guest complex through the complexation induced chemical shift values. A competitive binding assay with cesium ions at pD 2.8 was subsequently performed for the further manifestation of the binding. Finally, the molecular docking studies provided well-documented proof of the 1:1 inclusion complex and the geometry of the complex. We believe that understanding from such studies can be important for pH-controlled delivery of serotonin for biological applications.
已对单胺神经递质血清素与葫芦[7]脲的pH依赖性主客体络合进行了深入研究。在不同pH值下，使用稳态和时间分辨荧光光谱法探究了结合现象。在较低pH值下，即质子化的血清素，与葫芦[7]脲的结合亲和力明显高于较高pH值时。此外，详细的核磁共振滴定实验通过络合诱导化学位移值描绘了主客体络合物的溶液结构。随后在pD 2.8下进行了铯离子竞争结合试验，以进一步证明结合情况。最后，分子对接研究为1:1包合物及其络合物几何结构提供了充分的证据。我们认为，此类研究所得出的认识对于血清素在生物应用中的pH控制递送可能具有重要意义。
