Department of Chemistry, National Institute of Technology Durgapur, Durgapur- 713209, West Bengal, India.
Department of Biotechnology, National Institute of Technology Durgapur, Durgapur- 713209, West Bengal, India.
Bioorg Chem. 2022 Nov;128:106093. doi: 10.1016/j.bioorg.2022.106093. Epub 2022 Aug 12.
Herein, we report the synthesis and characterisation of a series of Pd(II) complexes: Pd(TEEDA)Cl, C-1; Pd(TEEDA)(OH), C-2; Pd(TEEDA)(l-cys), C-3; [Pd(TEEDA)(NALC)], C-4; Pd(TEEDA)(Meth), C-5; and [Pd(TEEDA)(GSH)], C-6 (where TEEDA = N,N,N'-Triethylenediamine, l-cys = l-cysteine, NALC = N-acetyl-l-cysteine, Meth = dl-methionine and GSH = glutathione). UV-Vis spectroscopic characterisation was supported by TD-DFT theoretical simulation using Gaussian09 software. Different reactivity parameters were calculated from the energy difference between HOMO and LUMO of the complexes by DFT. The bonding mode of the labile ligands was confirmed by NBO analysis. Interaction of the complexes with DNA has been observed by gel electrophoresis experiment. DNA binding nature as well as binding constants of the complexes were measured with UV-Vis and fluorescence spectroscopic method. The binding nature of the complexes with DNA was confirmed by viscometric titration. Interaction of the complexes with BSA was investigated by UV-Vis and fluorescence titration method. Cytotoxic activity of the Pd(II) complexes was evaluated on A549 (lung carcinoma epithelial cells), HCT116(Colorectal Carcinoma) and HEK293 (Human embryonic kidney cells) cell lines. The ROS generation in the presence of the complexes was tested both on cancer cell lines A549 and HCT116 as well as human normal cell HEK293.
本文报道了一系列 Pd(II) 配合物的合成与表征：Pd(TEEDA)Cl，C-1；Pd(TEEDA)(OH)，C-2；Pd(TEEDA)(l-cys)，C-3；[Pd(TEEDA)(NALC)]，C-4；Pd(TEEDA)(Meth)，C-5；和[Pd(TEEDA)(GSH)]，C-6（其中 TEEDA=N,N,N'-三乙二胺，l-cys=l-半胱氨酸，NALC=N-乙酰-l-半胱氨酸，Meth=dl-蛋氨酸，GSH=谷胱甘肽）。采用 Gaussian09 软件的 TD-DFT 理论模拟对紫外可见光谱特性进行了支持。通过 DFT 计算了配合物 HOMO 和 LUMO 之间的能量差，得到了不同的反应性参数。通过 NBO 分析确定了易位配体的键合模式。通过凝胶电泳实验观察了配合物与 DNA 的相互作用。采用紫外可见光谱法和荧光光谱法测定了配合物与 DNA 的结合性质和结合常数。通过黏度滴定实验证实了配合物与 DNA 的结合性质。采用紫外可见和荧光滴定法研究了配合物与 BSA 的相互作用。采用 A549（肺腺癌上皮细胞）、HCT116（结直肠癌细胞）和 HEK293（人胚肾细胞）细胞系评价了 Pd(II) 配合物的细胞毒性。在存在配合物的情况下，通过测试在癌细胞系 A549 和 HCT116 以及人正常细胞 HEK293 中产生的 ROS 来测试 ROS 的生成。
