Synthesis, characterization and molecular docking studies of Co(II) metal complex of sulfathiazole

Otuokere Ifeanyi Edozie,Ohwimu Joseph Godday,Nwadire Felix Chigozie,Igwe Okenwa Uchenna,Amadi Kingsley Chijioke

doi:10.4314/bcse.v34i1.8

Otuokere Ifeanyi Edozie, Ohwimu Joseph Godday + Show 3 more

Open Access

https://doi.org/10.4314/bcse.v34i1.8

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Abstract

Sulfathiazole (SFTZ) is a sulfonamide used for the treatment of bacterial infection. The cobalt complex of sulfathiazole was synthesized by reaction of sulfathiazole with CoCl2.6H2O. The metal complex was characterized based on AAS, UV, IR, 1H NMR spectroscopy and X-ray powder diffraction. The electronic spectrum of the ligand showed intra ligand charge transfer (ILCT) which were assigned to the chromophores present in the ligand, while that of the complex suggested intra ligand charge transfer (ILCT) and ligand to metal charge transfer (LMCT). The IR spectra of the complexes showed the involvement of amine, sulfonyl and cyano group in coordination to the metal ion. This showed that sulfathiazole acted as a tridentate ligand. 1H NMR spectrum of [Co(SFTZ)] complex further showed the involvement of the amine and sulfonyl group in coordination to the metal ions. The structure of [Co(SFTZ)] complex was assigned as trigonal. The crystal structure of [Co(SFTZ)] complex belongs to cubic system, space group P1, with cell parameters of a = 4.007 Å, b = 5.0078 Å, c = 5.9844 Å, 𝑉 = 30.61 Å3, α = 90o, β 90o, γ = 90o. Molecular docking suggested that the ligand/complex binded effectively with the E. Coli and S. aureus because their global binding energies were negative. The binding interactions of ligand/complex with E. Coli and S. Aureus were predicted. Molecular docking predicted the feasibility of the biochemical reactions before experimental investigation.  Bull. Chem. Soc. Ethiop. 2020, 34(1), 83-92. DOI: https://dx.doi.org/10.4314/bcse.v34i1.8

Highlights

Sulfathiazole (SFTZ) and their metal complexes possess antibacterial activity, diuretic, antiglaucoma, antiepileptic, antifungal activity [1,2] and, in many cases, the activity of the metal complex is much better than the ligand alone [1,2]
The crystal structure of [Co(SFTZ)] complex belongs to cubic system, space group P1, with cell parameters of a = 4.007 Å, b = 5.0078 Å, c = 5.9844 Å, = 30.61 Å3, α = 90o, β 90o, γ = 90o
In the 1H nuclear magnetic resonance (NMR) spectrum of SFTZ [21] (Figure 4), the aromatic protons appeared at 6.51-7.43 ppm while the thiazole protons are observed between 6.71-7.18 ppm

Summary

Introduction

Sulfathiazole (SFTZ) and their metal complexes possess antibacterial activity, diuretic, antiglaucoma, antiepileptic, antifungal activity [1,2] and, in many cases, the activity of the metal complex is much better than the ligand alone [1,2]. Various Co(III) complexes have been reported with antimicrobial activities. A Co(III) complex of the known antiulcer drug famotidine turned out to have greater antimicrobial activity against E. coli and M. lysodeikticusthan the metal free drug [12]. Several cobalt(II) 2methylthionicotinate complexes of various N-heterocyclic ligands showed significant activity against bacterial strains and fungi.

Results

Conclusion