02454nas a2200289   4500008004100000022001400041245016700055210006900222260000800291300001200299490000800311520147400319653002701793653001701820653000801837653001601845653001401861653002201875100002001897700002001917700002201937700001701959700001901976700002601995700002102021856012202042       2018                        eng d  a0020-169300aTetranuclear cubane Cu4O4 complexes as prospective anticancer agents: Design, synthesis, structural elucidation, magnetism, computational and cytotoxicity studies0 aTetranuclear cubane Cu4O4 complexes as prospective anticancer ag  cMAR  a121-1320 v4733 aTwo new homometallic Cu4O4 cubane clusters 1 and 2 have been synthesized by self-assembly of copper (II) acetate and ligand, 2-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-2-hydroxymethyl-propane-1, 3-diol (H4L) and characterized thoroughly by various spectroscopic techniques and single crystal X-ray diffraction analysis. Temperature- dependent magnetic susceptibility measurements have been performed to elucidate the antiferromagnetic and ferromagnetic nature in Cu4O4 clusters 1 and 2, respectively. In vitro DNA binding studies of cubane clusters were carried out by employing optical spectroscopic techniques. Gel electrophoretic mobility assay performed to examine the nuclease activity of the complexes 1 and 2 with pBR322 DNA, and results revealed oxidative DNA cleavage via reactive oxygen species (ROS) species viz., O-2(.-), O-1(2), etc. In vitro cell proliferation via MTT assay was studied to calculate the cytotoxicity of complexes 1 and 2. The IC50 evaluated were similar to 20 mu M in MCF-7 (Breast) and similar to 30-35 mu M in HepG2 (Liver) cancer cell lines. Additionally, in the presence of 1 and 2, ROS and TBARS (Thiobarbituric acid reactive substance) levels amplified significantly, coupled with GSH (glutathione) levels in cancer lines. Hence, the results exhibited the major role of ROS in apoptosis induced by 1 and 2 clusters and validate their prospective to be efficient anticancer drug entities. (C) 2018 Elsevier B.V. All rights reserved.10aCu4O4 cubane complexes10aCytotoxicity10aDFT10aDNA binding10aMagnetism10aNuclease activity1 aUsman, Mohammad1 aArjmand, Farukh1 aKhan, Rais, Ahmad1 aAlsalme, Ali1 aAhmad, Musheer1 aBishwas, Mousumi, Sen1 aTabassum, Sartaj  uhttps://library.ncl.res.in/content/tetranuclear-cubane-cu4o4-complexes-prospective-anticancer-agents-design-synthesis