Preparation of bisthiourea and 5-Amino-4-benzoyl-1,2,4-triazol-3-thione complexes of Copper (II), Nickel and Zinc and their biological evolution

Fizer, Maksym; Sukharev, S. N.; Slivka, Mikhailo; Mariychuk, Ruslan; Lendel, V. G.

doi:10.1016/j.jorganchem.2015.12.024

Cited by 35 publications

(15 citation statements)

References 32 publications

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“…This has led to a variety of applications related to their biological activity. The electron‐donor properties of the Schiff base ligands, functional groups in their structures and their position in the coordination sphere of their chelates were the main factors affecting their reactivates in various studies . It is known that copper complexes show anti‐nuclear activity and also they have an effect against rheumatoid arthritis .…”

Section: Introductionmentioning

confidence: 99%

Coordination behaviour and biological activity studies involving theoretical docking of bis‐Schiff base ligand and some of its transition metal complexes

Zayed

Hindy

et al. 2018

Applied Organom Chemis

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The Schiff base ligand 1,2-bis(2-vinylphenoxy)ethane-4,6-diaminopyrimidine-2-thiol derived from the condensation of 4,6-diaminopyrimidine-2-thiol with bisaldehyde was synthesized and characterized. Coordination compounds of this Schiff base with transition metal cations Cd(II), Zn(II), Ni(II), Co(II), Mn(II), Cu(II) and Fe(III) were synthesized and characterized. Microanalytical data, magnetic moments, mass, 1 H NMR and infrared spectra, molar conductance measurements and thermal analyses were used to confirm the structures of the obtained Schiff base ligand and its chelates. According to the data obtained, the 1:1 general stoichiometric formulae of chelates are given by [M(HL)(H 2 O) 2 ]Cl 2 (M = Cd(II), Zn(II), Ni(II), Co(II), Mn(II), Cu(II)) and [Fe(HL)(H 2 O) 2 ]Cl 3 . The diffuse reflectance spectra and magnetic moment measurements suggest an octahedral geometry for the complexes. The bis-Schiff base ligand and metal ions are coordinated in a tetradentate manner via OO and NN donor sites as confirmed by infrared spectra. These complexes were then subjected to antibacterial studies using Gram-positive (Streptococcus pyogenes and Bacillus subtilis) and Gram-negative (Proteus vulgaris and Escherichia coli) organisms. The ligand and metal complexes exhibited pronounced antimicrobial activity against both types of bacteria. A docking study was conducted to evaluate the nature of the binding of the ligand and the most biologically active complexes to protein active sites of these bacteria. KEYWORDS antimicrobial activity and molecular docking studies, bis-Schiff base ligand, elemental and spectroscopic studies, thermal analyses, transition metal complexes

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Section: Introductionmentioning

confidence: 99%

Coordination behaviour and biological activity studies involving theoretical docking of bis‐Schiff base ligand and some of its transition metal complexes

Zayed

Hindy

et al. 2018

Applied Organom Chemis

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“…The chemical and biological activities of triazole ligands are of great interest for the preparation of metal complexes . Furthermore, metal complexes containing triazole ligands also show biological activities . The work presented here aimed chiefly to study a novel triazole ligand, namely 4‐amino‐5‐(heptadec‐8‐en‐1‐yl)‐4 H ‐1,2,4‐triazole‐3‐thiol (H 2 L), and its interesting coordination reaction with some metal cations, namely Co (II), Fe (III), Ni (II), Cu (II) and Cd (II).…”

Section: Introductionmentioning

confidence: 99%

Synthesis, structural characterization, density functional theory (B3LYP) calculations, thermal behaviour, docking and antimicrobial activity of 4‐amino‐5‐(heptadec‐8‐en‐1‐yl)‐4H‐1,2,4‐triazole‐3‐thiol and its metal chelates

Zayed

Salam

et al. 2018

Applied Organom Chemis

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Synthesis, structural characterization, density functional theory (B3LYP) calculations, thermal behaviour, docking and antimicrobial activity of 4-amino-5-(heptadec-8-en-1-yl)-4H-1,2,4-triazole-3-thiol and its metal chelatesThe structure of prepared triazole ligand 4-amino-5-(heptadec-8-en-1-yl)-4H-1,2,4-triazole-3-thiol and its coordination behaviour towards transition metal ions Ni (II), Co (II), Fe (III), Cd (II) and Cu (II) have been studied using magnetic measurements, elemental analyses and electronic, Fourier transform infrared and 1 H NMR spectroscopies. The thermal behaviours of the triazole ligand and its chelates were investigated and their thermal decomposition possibilities are proposed. The stages of all thermal decompositions are discussed.The Gaussian09 program was used to optimize the structural formula for the triazole ligand. Applying the DFT/B3LYP/6-311 basis set method, important theoretical parameters were calculated. The target triazole and its metal chelates were investigated in vitro against Escherichia coli, Staphylococcus aurous, Aspergillus flavus and Candida albicans, and were found to exhibit good antimicrobial activity. These results were confirmed using theoretical molecular docking.

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“…Typically, good results in explanation and prediction of reactivity can be obtained by a combination of a few different approaches . This is why we have calculated the CFF, which is a local reactivity and selectivity descriptor.…”

Section: Resultsmentioning

confidence: 99%

Reactions of N‐alkenyl Thioureas with p‐alkoxyphenyltellurium Trichlorides

Kut

Fizer

Onysko

et al. 2018

Journal of Heterocyclic Chem

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N‐Аlkenyl thioureas, under the action of aryltellurium trichlorides, form the addition products N‐{2‐chloro‐3‐[dichloro(4‐alkoxyphenyl)‐tellanyl]propyl} thioureas or the intramolecular cyclization products 5‐{dichloro(4‐alkoxyphenyl)‐telluromethyl}‐2‐phenylamino‐4,5‐dihydro‐1,3‐thiazole hydrochlorides. The reaction route depends on the nature of the substituent in the thiourea. The Fukui function reactivity indexes identify the electrophilic/nucleophilic centers and explain the possible cyclization reaction in the case of phenyl substituted thioureas. In the case of other substituents, the calculated values of partial atomic charges clearly predict that the addition reaction is more possible.

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Preparation of bisthiourea and 5-Amino-4-benzoyl-1,2,4-triazol-3-thione complexes of Copper (II), Nickel and Zinc and their biological evolution

Cited by 35 publications

References 32 publications

Coordination behaviour and biological activity studies involving theoretical docking of bis‐Schiff base ligand and some of its transition metal complexes

Coordination behaviour and biological activity studies involving theoretical docking of bis‐Schiff base ligand and some of its transition metal complexes

Synthesis, structural characterization, density functional theory (B3LYP) calculations, thermal behaviour, docking and antimicrobial activity of 4‐amino‐5‐(heptadec‐8‐en‐1‐yl)‐4H‐1,2,4‐triazole‐3‐thiol and its metal chelates

Reactions of N‐alkenyl Thioureas with p‐alkoxyphenyltellurium Trichlorides

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