Theoretical Study and Biological Activity of Co(II), Ni(II), Cu(II),Pd(II),Pt(IV) and Cd(II) Complexes with2-Thioxoimidazolidin-4-one Derivative


  • Sallal A. H. Abdullah Department of Applied Science, Chemistry Division, University of Technology, IRAQ



2-thioxoimidazolidin-4-one, complexes, theoretical study, biological activity


The workcontains a theoretical treatment of the preparedligand(3-{[(Z)-(4-nitrophenyl) methyli -dene]amino}-2-thioxoimidazolidin-4-one)[L] and their metal complexes[S1-S6]in the gas phase. Hyperchem-8 program has been used to determined structural geometries of ligand and their met-al complexes. The electrostatic potential(Ep)of the ligand was calculated,furthermore binding en-ergy(ΔEb),the heat of formation(ΔHf),vibration spectra and bond length for the ligand and their metal co -mplexes were calculated by PM3methods at 298K°. The theoretically calculateddata were agreed with those found experimentally. The antibacterial activity for free ligand and its metal complexes(S1-S6)were studied against two selected micro-organisms [(Staphylococcusau-reus) as gram positive]and [(Escherichiacoli)as gram negative]. The minimal inhibitory concen-trations(MIC)have been also studied to determine the low concentration for inhibition. The anti-biotics (Amoxcillin and Ampicillin) have been chosen to compare their activity with those of the new compounds. Furthermore the antif -ungal activity against two microorganisms (Candidaalbi-cans) and (Aspergillusflavus) were studied for all compounds. The results showed great activity of the complexes relative to that of free ligand.


D. W. Zerong, O. S. Samia and Z. Yulu, , "A Simple Synthesis of 2-Thiohyd -antoins, ," Molecules,vol.11, pp. : 739-750., 2006.

A. J. A. Nasser,A. I. Adhulla,R. S. Kumar,J. Selvin"Synthesis of Some 2-Thioxo -imidazolidin-4-one Derivatives and its An-timicrobial Activity,," E-J. Chem., vol.7, no. (4), pp. :1320-1325., 2010.

B. Vinod,D. Selvakumar,and K. K. Bincy "Synthesis, antibacterial and antifungal ac-tivities of novel diphenyl hydantoin -carbox -amides,," Int J Pharm Bio Sci, vol.4, no. (1), p. :759–767., 2013.

B. Shipra,C. Sumitra,P. Hemali and R. Pa-ras"Synthesis,characterization and antimi-crobial activity of some new2-thioxoimidazolidin-4-one deriva-tives,,"Ijpcbs,vol.5,no. (1),pp. :196-202. ,2015.

M. E. Abd E1-Fattah,"Synthesis and investi-gation of mass spectra of 3-substituted-2-thioxoimidazolidin-4-one derivative,,"Ind. J. of Chem., vol.45B, pp. : 2523-2533., 2006.

A. I. Khodair,H. I. El-Subbagh and A. A. El-Emam "Synth -esis of certain 5-substituted 2-thiohydantoin derivatives as potential cyto-toxic and antiviral agents,," Boll. Chim Farm., vol.136, pp. :561-567., 1997.

E. Delgado Gerzon, N. Varela Kristal,V. Ar-aque1Rohixa,A. Rodríguez Jesús, J. Mora Asiloé and E. Seijas Luis"Synthesis, crystal and supramolecular structure of rac-N-acetyl-2-thiohyda -ntoin–asparagine,,"AvancesenQuímica, vol.9, no. (1), pp. :3-6., 2014.

S. Vengurlekar,R. Sharma,P. Trivedi "A Study on the Biological Activity of 2-thioxoimidazolidin-4-ones,,"Let. Drug. Des., no. (9), pp. :549-555., 2012.

B. Shipra,C. Sumitra,P. HemaliandR. Pa-ras"Synthesis,characterization and antimi-crobial activity of some new2-thioxoimidazolidin-4-one deriva-tives,,Ijpcbs,vol.5,no. (1),pp. :196-202. ,Ijpcbs, 2015.

A. S. Guerra,D. J. Malta,Laranjeira,L. P. Maia,M. B. ,N. C. Colaço,C. Mdo,S. L. Galdino,R. Pitta,Ida,T. Gonçalves-Silva, "``Anti-inflammatory and antinociceptive activities of indoleimidazolidine deri-vateives,," Int. Immunopharmacol., vol.11, no. (11), p. :1816, 2011.

A. N. Jamal,A. Idhayadhulla,K. Surendra and J. Selvin"Synthesis of Some 2-Thio -xoimidazolidin-4-one Derivatives and its Antimicrobial Activity,,"E-J. Chem. vol.7,no. (4),pp. :1320-1325., 2010.

N. M. Aljamali,"Review in Azo compo -unds and its biological activity,," Biochem. Anal. Biochem. ,vol.4,no. (2),pp. :1-4., 2015.

SallalA. H. Abdullah,RehabA. M. Al Has -sani,Abdul JabarKh. Atia,and Ali A. Hus-sein"Synthesis,characterization,and enzyme activity of Co(II),Ni(II),Cu(II), Pd(II), Pt(IV) and Cd(II) complexes with 2-thioxoimidazolidin-4-one deriv -ative,," Ac-cepted.

D. B. Cook, "Quantum Chemistry,,''in Hand book of Computational ،،Quantum Chemis-try, Vols. [14] D. B. Cook,,Hand book of Computational ،،Quantum Chemistry,New York, Oxford univ. Press,1998:149., New York, Oxford univ. Press,1998,p. :149.

J. V. Donald,G. V. Judith and W. P. Char-lotte "Principles of Biochem -istry,," 3rd Ed. ., Vols. ,John-Weily Inc. ,New York, 2008.

J. Awetz and A. Delbrgs. ,Medical Micro -biology. John-Weily Inc. ,4thEd. ,MC Graw Hil-USA.2007., MC Graw Hil-USA. :. John-Weily Inc. ,4thEd., 2007.

H. ChoinackiandF. Pruchnik``Quant -um Chemical studies on molecular and Electron-ic structure of complexes addu -cts,,"Int. J. Mol. Sci. vol.2,no. (44),pp. :11-17., 2001.

G. Mohammad and J. Ahmad "Abinit -ioInvestigation of Physicochemical, Ther-modynamical and Spectroscopic Characteris-tics of Hydantoin Struct -ures,," IJIRSET, vol.4, no.1, 2015.

J. J. Stewart "Reviews in Computatio -nal Chemistry,," VCH publishers, New York, vol.1, no.9, pp. :72-80, 1996.

R. A. M. AlHassani, "Theoreticalstud -ies and Biological activities of new Mannich bases triazole derivative with VO(IV), Co(II), Cu(II), Pd(II), Rh(III), Pt (IV),Zn(II) and Cd(II) ions,," Al-Mustansiriya Journal of Science, vol.22, no. (4), pp. :111-133., 2011.

R. A. M. Al-Hassani,"Synthesis,Structu -ral, Antimicrobial activities and Theor -etical Studies of Some New Trivalent Metal




How to Cite

S. A. H. Abdullah, “Theoretical Study and Biological Activity of Co(II), Ni(II), Cu(II),Pd(II),Pt(IV) and Cd(II) Complexes with2-Thioxoimidazolidin-4-one Derivative”, MJS, vol. 28, no. 2, pp. 64–72, Apr. 2018.



Chemical Science