Tyagi Prateek, Chandra Sulekh, Saraswat B S, Yadav Deepak
Department of Chemistry, Zakir Husain Delhi College, University of Delhi, JLN-Marg, New Delhi 110002, India; Department of Chemistry, School of Sciences, IGNOU, Maidan Garhi, New Delhi 110068, India.
Department of Chemistry, Zakir Husain Delhi College, University of Delhi, JLN-Marg, New Delhi 110002, India.
Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jun 15;145:155-164. doi: 10.1016/j.saa.2015.03.034. Epub 2015 Mar 7.
A series of two biologically active Schiff base ligands L(1), L(2) have been synthesized in equimolar reaction of 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol with thiophene-2-carbaldehyde and furan-2-carbaldehyde. The synthesized Schiff bases were used for complexation with different metal ions like Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 1:1 and 2:1. The characterization of Schiff bases and metal complexes was done by (1)H NMR, UV-Vis, TGA, IR, mass spectrometry and molar conductivity studies. The in DFT studies the geometries of Schiff bases and metal complexes were fully optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies an octahedral geometry has been assigned for Co(II), Ni(II) and Cu(II) complexes. The effect of these complexes on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver carcinoma cell line (Hep-G2) were studied and compared with those of free ligand. The anticancer cell line results reveal that all metal complexes show moderate to significant % cytotoxicity on cell line HepG2 and MCF-7.
通过4-氨基-5-(吡啶-4-基)-4H-1,2,4-三唑-3-硫醇与噻吩-2-甲醛和呋喃-2-甲醛的等摩尔反应，合成了一系列两种具有生物活性的席夫碱配体L(1)、L(2)。以配体:金属的摩尔比为1:1和2:1，将合成的席夫碱用于与不同金属离子如Co(II)、Ni(II)和Cu(II)络合。通过¹H NMR、紫外可见光谱、热重分析、红外光谱、质谱和摩尔电导率研究对席夫碱和金属配合物进行了表征。在密度泛函理论（DFT）研究中，使用6-31+g(d,p)基组对席夫碱和金属配合物的几何结构进行了能量方面的完全优化。基于光谱研究，为Co(II)、Ni(II)和Cu(II)配合物指定了八面体几何结构。研究了这些配合物对人乳腺癌细胞系（MCF-7）和人肝细胞癌细胞系（Hep-G2）增殖的影响，并与游离配体的影响进行了比较。抗癌细胞系结果表明，所有金属配合物对细胞系HepG2和MCF-7均表现出中度至显著的细胞毒性百分比。
