Mondal Modhusudan, Basak Shatarupa, Roy Debadrita, Haydar Md Salman, Choudhury Subhankar, Ghosh Biswajit, Ghosh Narendra Nath, Dutta Ankita, Mandal Palash, Roy Kanak, Kumar Anoop, Roy Mahendra Nath
Department of Chemistry, University of North Bengal, Darjeeling 734013, India.
Nanobiology and Phytotherapy Laboratory, Department of Botany, University of North Bengal, Darjeeling 734013, India.
ACS Omega. 2022 Jul 19;7(30):26211-26225. doi: 10.1021/acsomega.2c01902. eCollection 2022 Aug 2.
The assembly of an inclusion complex in an aqueous medium using a metabolizer drug (dyphylline) as guest and β-cyclodextrin as host has been established, which is extremely appropriate for a variety of applications in modern biomedical sciences. The formation of the inclusion complex is established by H NMR, and surface tension and conductivity measurements demonstrate that the inclusion complex was produced with 1:1 stoichiometry. The thermodynamic parameters based on density, viscosity, and refractive index measurements were used to determine the nature of the complex. This research also forecasts how dyphylline will release in the presence of CT-DNA without any chemical modifications. The produced insertion complex (IC) has a higher photostability due to the drug dyphylline being protected by β-CD. The antibacterial activity of dyphylline greatly improved after complexation and exhibited higher toxicity against Gram-negative (highest against ) in comparison to Gram-positive bacteria. The encapsulation mode of the dyphylline molecule into the cavity of the β-CD was also investigated using DFT to confirm preliminary results.
已证实，在水介质中以代谢药物（二羟丙茶碱）为客体、β-环糊精为主体可形成包合物，这对于现代生物医学科学中的各种应用极为合适。通过核磁共振氢谱确定了包合物的形成，表面张力和电导率测量表明包合物是以1:1的化学计量比生成的。基于密度、粘度和折射率测量的热力学参数用于确定复合物的性质。该研究还预测了在没有任何化学修饰的情况下，二羟丙茶碱在CT-DNA存在时将如何释放。由于药物二羟丙茶碱受到β-环糊精的保护，所生成的插入复合物（IC）具有更高的光稳定性。二羟丙茶碱络合后的抗菌活性大大提高，与革兰氏阳性菌相比，对革兰氏阴性菌（对最高）表现出更高的毒性。还使用密度泛函理论（DFT）研究了二羟丙茶碱分子在β-环糊精腔内的包封模式，以确认初步结果。
