Department of Chemistry, SACS MAVMM Engineering College, Madurai 625 301, Tamilnadu, India.
Chemistry Research Centre, Mohamed Sathak Engineering College, Kilakarai 623 806, Tamilnadu, India.
Mater Sci Eng C Mater Biol Appl. 2018 Sep 1;90:119-130. doi: 10.1016/j.msec.2018.04.032. Epub 2018 Apr 21.
New morpholine derived Schiff base ligands (HL and HL) and their Cu(II) complexes [Cu(L)] (1) and [Cu(L)] (2) have been synthesized and characterized by H NMR, IR, UV-Vis, EPR studies and cyclic voltammetric analyses. Single crystal X-ray crystallography studies confirm the structure of newly synthesized Schiff base ligands HLand HL. The ground state electronic structures of Cu(II) complexes 1 and 2 have been investigated by DFT/B3LYP theoretical analysis with 6-31G (d,p) and LANL2DZ basis set. The affinity towards DNA and protein molecules have been evaluated using computational docking analysis and complex 2 expose significant binding ability with DNA as well as protein due to its towering hydrophobicity. Consequently, complex 2 reveals superior antibacterial activity against some bacterial species besides anticancer activity on human breast cancer (MCF-7) cells than complex 1 and Schiff base ligands (HL and HL). These preliminary investigations strongly recommended that complex 2 can be used as a better antibacterial plus anticancer agent.
新的吗啉衍生希夫碱配体（HL 和 HL）及其 Cu(II) 配合物 [Cu(L)]（1）和[Cu(L)]（2）已通过 H NMR、IR、UV-Vis、EPR 研究和循环伏安分析进行了合成和表征。单晶 X 射线晶体学研究证实了新合成的希夫碱配体 HL 和 HL 的结构。通过 DFT/B3LYP 理论分析，使用 6-31G(d,p)和 LANL2DZ 基组对 Cu(II)配合物 1 和 2 的基态电子结构进行了研究。使用计算对接分析评估了与 DNA 和蛋白质分子的亲和力，并且由于其高耸的疏水性，配合物 2 显示出与 DNA 以及蛋白质的显著结合能力。因此，配合物 2 对一些细菌物种具有优异的抗菌活性，并且对人乳腺癌（MCF-7）细胞具有抗癌活性，优于配合物 1 和希夫碱配体（HL 和 HL）。这些初步研究强烈表明，配合物 2 可用作更好的抗菌和抗癌药物。
