Journal
MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS
Volume 90, Issue -, Pages 119-130Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.msec.2018.04.032
Keywords
Schiff base ligand derived Cu(II) complexes; Structural analyses; Docking analysis; Antibacterial activity; Anticancer evaluation
Categories
Funding
- DST [SR/FTP/CS-40/2007]
- DST-SERB [SB/FT/CS-130/2012]
- UGC [38-70/2009 (SR)]
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New morpholine derived Schiff base ligands (HL1 and HL2) and their Cu(II) complexes [Cu(L-1)(2)] (1) and [Cu (L-2)(2)] (2) have been synthesized and characterized by H-1 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 HL1 and HL2. 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 (HL1 and HL2). These preliminary investigations strongly recommended that complex 2 can be used as a better antibacterial plus anticancer agent.
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