Ravi Mudavath, Chennam Kishan Prasad, Ushaiah B, Eslavath Ravi Kumar, Perugu Shyam, Ajumeera Rajanna, Devi Ch Sarala
Department of Chemistry, Osmania University, Hyderabad, 500 007, Telangana, India.
Department of Bio-Chemistry, Osmania University, Hyderabad, 500 007, Telangana, India.
J Fluoresc. 2015 Sep;25(5):1279-96. doi: 10.1007/s10895-015-1616-z. Epub 2015 Aug 28.
The focus of the present work is on the design, synthesis, characterization, DNA-interaction, photo-cleavage, radical scavenging, in-vitro cytotoxicity, antimicrobial, docking and kinetic studies of Cu (II), Cd (II), Ce (IV) and Zr (IV) metal complexes of an imine derivative, 3 - (1 - (6 - methoxybenzo [d] thiazol - 2 - ylimino) ethyl) - 6 - methyl - 3H - pyran - 2, 4 - dione. The investigation of metal ligand interactions for the determination of composition of metal complexes, corresponding kinetic studies and antioxidant activity in solution was carried out by spectrophotometric methods. The synthesized metal complexes were characterized by EDX analysis, Mass, IR, (1)H-NMR, (13)C-NMR and UV-Visible spectra. DNA binding studies of metal complexes with Calf thymus (CT) DNA were carried out at room temperature by employing UV-Vis electron absorption, fluorescence emission and viscosity measurement techniques. The results revealed that these complexes interact with DNA through intercalation. The results of in vitro antibacterial studies showed the enhanced activity of chelating agent in metal chelated form and thus inferring scope for further development of new therapeutic drugs. Cell viability experiments indicated that all complexes showed significant dose dependent cytotoxicity in selected cell lines. The molecular modeling and docking studies were carried out with energy minimized structures of metal complexes to identify the receptor to metal interactions.
本工作的重点是对一种亚胺衍生物3-(1-(6-甲氧基苯并[d]噻唑-2-基亚氨基)乙基)-6-甲基-3H-吡喃-2,4-二酮的铜(II)、镉(II)、铈(IV)和锆(IV)金属配合物进行设计、合成、表征、DNA相互作用、光裂解、自由基清除、体外细胞毒性、抗菌、对接和动力学研究。通过分光光度法研究金属配体相互作用，以确定金属配合物的组成、相应的动力学研究和溶液中的抗氧化活性。通过能谱分析、质谱、红外光谱、(1)H-NMR、(13)C-NMR和紫外可见光谱对合成的金属配合物进行表征。在室温下，采用紫外可见电子吸收、荧光发射和粘度测量技术，对金属配合物与小牛胸腺(CT)DNA进行DNA结合研究。结果表明，这些配合物通过插入作用与DNA相互作用。体外抗菌研究结果表明，金属螯合形式的螯合剂活性增强，从而推断出新治疗药物进一步开发的前景。细胞活力实验表明，所有配合物在所选细胞系中均表现出显著的剂量依赖性细胞毒性。利用金属配合物的能量最小化结构进行分子建模和对接研究，以确定受体与金属的相互作用。
