Binuclear copper(II) complexes: Synthesis, structural characterization, DNA binding and in silico studies

Abdul Waheed Kamran, Saqib Ali, Muhammad Nawaz Tahir, Muhammad Zahoor, Abdul Wadood, Muhammad Iqbal

Abstract


Two new binuclear Cu(II) complexes represented by the general for­mula {(dmso)Cu(µ-L)4Cu(dmso)} (1) and {(Phen)(L)Cu(µ-L)2Cu(L)(Phen)} (2) where dmso = dimethyl sulphoxide, L = 2-bromophenyl acetate and Phen = 1,10-phenanthroline have been synthesized, isolated quantitatively and char­acterized by UV/Vis and FT-IR spectroscopic techniques, thermo­gra­vi­metry/differential thermal analysis and X-ray single crystal XRD studies. Complex 1 is paddlewheel with 1,2-O,O-bridging while 2 has 1,1-O-bridging. The values of the intrinsic binding constants with DNA were found out to be 2.0×103 and 1.1×103 M-1, respectively for compound 1 and 2. The mode of interaction of complexes with DNA was also evaluated through computational study by molecular docking (in silico) study using molecular operating environment (MOE) software. The synthesized complexes are structurally as well as bio­logically important.


Keywords


crystal structures; DNA interaction; molecular docking

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DOI: https://doi.org/10.2298/JSC190715109K

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