Zn(II) and Fe(II) complexes of  2,4-dinitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene] amino] aniline: synthesis, characterization and In Silico SARS-CoV-2 inhibition studies

K. O. Eberendu; J. I.  Iheanyichukwu; O. M.  Mac-kalunta; C. I. Nwankwo; I. E.  Otuokere; J. C.  Nnaji

doi:10.46481/jnsps.2025.2326

Authors

K. O. Eberendu
[email protected]
Department of Chemistry, Spiritan University, Nneochi, Abia, Nigeria
J. I. Iheanyichukwu Department of Chemistry, Michael Okpara University of Agriculture, Nigeria
O. M. Mac-kalunta Department of Chemistry, Michael Okpara University of Agriculture, Nigeria
C. I. Nwankwo Department of Biochemistry, Michael Okpara University of Agriculture, Nigeria
I. E. Otuokere Department of Chemistry, Michael Okpara University of Agriculture, Nigeria
J. C. Nnaji Department of Chemistry, Michael Okpara University of Agriculture, Nigeria

Abstract

The hydrazones and their metal complexes find application as anticancer, antibacterial, chemotherapeutic, antioxidants, and antiproliferative agents, among several other uses. In our quest for possible bioactive hydrazone and complexes, we have synthesized novel Zn(II) and Fe(II) metal complexes of 2,4-dinitro-N-[(Z)-[(E)-3-(2-nitro-phenyl) prop-2-enylidene] amino. The octahedral geometry of the complexes was further supported by the spectral methods, with coordination proceeding through two nitro groups, two chloride atoms, an NH group, and an azomethine nitrogen atom. From the fact noted, we can now confirm that Zn(II) and Fe(II) can coordinate DNEAA to form complexes of high stability. The molecular docking study showed binding energies to be above -9.6 Kcal/mol. These results recommend biological, preclinical, and clinical trials take place, with the target being SARS-CoV-2 protease

Dimensions

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