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

doi:10.2298/JSC190715109K

PDF (3,950 kB) Supplementary Material (1.98 MB)

Published: Jun 30, 2020

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

Keywords:

crystal structures DNA interaction molecular docking

Abdul Waheed Kamran

Department of Chemistry, University of Malakand, Chakdara, Dir(L) KPK

Saqib Ali

Department of Chemistry Quaid-i-Azam University Islamabad 45320

Muhammad Nawaz Tahir

Department of Physics, University of Sargodha, Sargodha

Muhammad Zahoor

Department of Chemistry, University of Malakand, Chakdara, Dir(L) KPK

Abdul Wadood

Department of Biochemistry, Abdul Wali Khan University Mardan, KPK

Muhammad Iqbal

Department of Chemistry, Bacha Khan University Charsadda 24420, KP

http://orcid.org/0000-0002-1716-7128

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.

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How to Cite

[1]

A. W. Kamran, S. Ali, M. N. Tahir, M. Zahoor, A. Wadood, and M. Iqbal, “Binuclear copper(II) complexes: Synthesis, structural characterization, DNA binding and in silico studies”, J. Serb. Chem. Soc., vol. 85, no. 6, pp. 751–764, Jun. 2020.

Issue

Vol. 85 No. 6 (2020)

Section

Inorganic Chemistry

Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution license 4.0 that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.

Abdul Waheed Kamran, Department of Chemistry, University of Malakand, Chakdara, Dir(L) KPK

student, Department of Chemistry

Saqib Ali, Department of Chemistry Quaid-i-Azam University Islamabad 45320

professor, Department of Chemistry

Muhammad Nawaz Tahir, Department of Physics, University of Sargodha, Sargodha

professor, Department of Physics

Muhammad Zahoor, Department of Chemistry, University of Malakand, Chakdara, Dir(L) KPK

professor, Department of Chemistry

Abdul Wadood, Department of Biochemistry, Abdul Wali Khan University Mardan, KPK

professor, Department of Biochemistry

Muhammad Iqbal, Department of Chemistry, Bacha Khan University Charsadda 24420, KP

Assistant Professor, Department of Chemistry

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