Herein, we have synthesized and characterized a new benzimidazole-derived ââ?¬Å?BnIââ?¬Â\nligand and its copper(II) complex, [Cu(BnI)2], 1, and zinc(II) complex, [Zn(BnI)2], 2, using elemental\nanalysis and various spectroscopic techniques. Interaction of complexes 1 and 2 with the\nbiomolecules viz. HSA (human serum albumin) and DNA were studied using absorption titration,\nfluorescence techniques, and in silico molecular docking studies. The results exhibited the\nsignificant binding propensity of both complexes 1 and 2, but complex 1 showed more avid\nbinding to HSA and DNA. Also, the nuclease activity of 1 and 2 was analyzed for pBR322 DNA,\nand the results obtained confirmed the potential of the complexes to cleave DNA. Moreover, the\nmechanistic pathway was studied in the presence of various radical scavengers, which revealed\nthat ROS (reactive oxygen species) are responsible for the nuclease activity in complex 1, whereas\nin complex 2, the possibility of hydrolytic cleavage also exists. Furthermore, the cytotoxicity of the\nligand and complexes 1 and 2 were studied on a panel of five different human cancer cells, namely:\nHepG2, SK-MEL-1, HT018, HeLa, and MDA-MB 231, and compared with the standard drug,\ncisplatin. The results are quite promising against MDA-MB 231 (breast cancer cell line of 1), with an\nIC50 value that is nearly the same as the standard drug. Apoptosis was induced by complex 1 on\nMDA-MB 231 cells predominantly as studied by flow cytometry (FACS). The adhesion and\nmigration of cancer cells were also examined upon treatment of complexes 1 and 2. Furthermore,\nthe in vivo chronic toxicity profile of complexes 1 and 2 was also studied on all of the major organs\nof the mice, and found them to be less toxic. Thus, the results warrant further investigations of\ncomplex 1.
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