Synthesis, crystal structure, DNA binding and molecular docking studies of zinc(II) carboxylates

Publication date: 5 February 2018
Source:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 190
Author(s): Niaz Muhammad, Muhammad Ikram, Abdul Wadood, Sadia Rehman, Shaukat Shujah, Erum, Mehreen Ghufran, Shahnaz Rahim, Muzamil Shah, Carola Schulzke
New zinc(II) carboxylate complexes [Zn(3-F-C6H4CH2COO)2]n (1), [Zn3(3-F-C6H4CH2COO)6(Phen)2] (2) and [Zn3(3-F-C6H4CH2COO)6(bipy)2] (3) were synthesized and characterized by atomic absorption, single crystal structural analysis and IR studies. Complex 1 crystallizes as a coordination polymer constituting a web of μ−η¹,η¹ carboxylate bridged tetrahedral zinc centers. Complexes 2 and 3 comprise trinuclear zinc centers with two terminal fivefold coordinated slightly distorted square-pyramidal and central sixfold coordinated octahedral zinc centers. The complexes were also assessed for their DNA binding ability by UV/−Vis spectroscopy and their behavior rationalized theoretically by molecular docking studies. A DNA binding study has shown groove binding interactions with the complexes.

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