Singha Uttam Kumar, Pradhan Sudarshan, Gurung Pritika, Chhetri Prajal, Chettri Anmol, Dutta Tanmoy, Sinha Biswajit
Department of Chemistry, University of North Bengal, Darjeeling, 734013, India.
Department of Chemistry, JIS College of Engineering, Kalyani, 741235, India.
J Fluoresc. 2025 May;35(5):2695-2706. doi: 10.1007/s10895-024-03687-9. Epub 2024 Apr 13.
Condensing 2-phenoxyaniline with 5-chlorosalicyldehyde under reflux conditions, a 4-chloro-2-(((2-phenoxyphenyl)imino)methyl)phenol Schiff base has been Synthesized. A zinc complex was synthesized by combining the ligand in a 1:1 molar ratio with zinc sulphateheptahydrate. Mass spectroscopy, NMR, infrared, and elemental analysis were used to characterize the ligand and zinc complex. By measuring the molar conductance, the non-electrolytic character of the complex was confirmed. The zinc ion is coordinated in a pentadentate manner, according to an IR and NMR investigation. Viscosity measurements, absorption and fluorescence spectroscopy were utilized to examine the complex's interaction with CT (calf thymus) DNA. Furthermore, the ligand and complex's ADMET characteristics were ascertained through the use of ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) study. Calculation of the different electronic parameters of the optimized structure through Density Functional Theory (DFT) indicated the stability of the Zn(II) complex. Molecular docking study reflected the future opportunity for the consideration of Zn(II) complex to fight against Alzheimer and Glaucoma diseases.
在回流条件下将2-苯氧基苯胺与5-氯水杨醛缩合，合成了4-氯-2-(((2-苯氧基苯基)亚氨基)甲基)苯酚席夫碱。通过将配体与七水合硫酸锌以1:1的摩尔比结合合成了锌配合物。使用质谱、核磁共振、红外光谱和元素分析对配体和锌配合物进行了表征。通过测量摩尔电导率，证实了该配合物的非电解质性质。根据红外光谱和核磁共振研究，锌离子以五齿方式配位。利用粘度测量、吸收光谱和荧光光谱研究了该配合物与CT（小牛胸腺）DNA的相互作用。此外，通过ADMET（吸收、分布、代谢、排泄和毒性）研究确定了配体和配合物的ADMET特性。通过密度泛函理论（DFT）计算优化结构的不同电子参数表明了Zn(II)配合物的稳定性。分子对接研究反映了考虑Zn(II)配合物对抗阿尔茨海默病和青光眼疾病的未来机会。
