Abstract
(E)-N,N-Dimethyl-2-((E-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (DMPTHP) and their Zn(II) and Cd(II) complexes have been synthesized and characterized. Different tools of analysis such as elemental analyses, IR, mass spectra, and 1H-NMR measurements were used to elucidate the structure of the synthesized compounds. According to these spectral results, the DMPTHP ligand behaved as a mononegatively charged tridentate anion. Modeling and docking studies were investigated and discussed. Novel Schiff base (DMPTHP) ligand protonation constants and their formation constants with Cd(II) and Zn(II) ions were measured in 50% DMSO solution at 15°C, 25°C, and 35°C at I = 0.1 mol·dm−3 NaNO3. The solution speciation of different species was measured in accordance with pH. Calculation and discussion of the thermodynamic parameters were achieved. Both log K1 and –ΔH1, for M(II)-thiosemicarbazone complexes were found to be somewhat larger than log K2 and –ΔH2, demonstrating a shift in the dentate character of DMPTHP from tridentate in 1 : 1 chelates to bidentate in 1 : 2; M : L chelates and steric hindrance were generated by addition of the 2nd molecule. The compounds prepared have significant activity as antioxidants, similar to ascorbic acid. It is hoped that the results will be beneficial to antimicrobial agent chemistry. The formed compounds acted as a potent antibacterial agent. Molecular docking studies were investigated and have proved that DMPTHP as antibacterial agents act on highly resistant strains of E. coli and also as an anticancer agent.
Highlights
There has been a very successful interaction between inorganic chemistry and biology
E role of coordination compounds in detoxification of heavy metals is a complex subject that involves cooperation between numerous scientific branches. e primary contribution of chemistry to this subject is to produce both models of coordination and complex formation constants between chelating agents and metal ions, in a parliamentary procedure to compare the power of the formed complexes with their properties
Referable to the broad scope of pharmacological properties of thiosemicarbazone ligands and their compounds, these compounds can very well fit for this role. With this in mind and in the perpetuation of our studies in the subject area of bioactive compounds [19,20,21,22], it seems of great interest to synthesize and identify novel compounds involving both thiosemicarbazone and hydrazo moieties
Summary
There has been a very successful interaction between inorganic chemistry and biology. Schiff bases play a crucial role in coordination chemistry, since they form stable metal complexes [3,4,5,6,7,8,9,10,11,12]. Referable to the broad scope of pharmacological properties of thiosemicarbazone ligands and their compounds, these compounds can very well fit for this role With this in mind and in the perpetuation of our studies in the subject area of bioactive compounds [19,20,21,22], it seems of great interest to synthesize and identify novel compounds involving both thiosemicarbazone and hydrazo moieties. Our goal is comparison of M complexes strength with DMPTHP in quantitative terms in order to evaluate the capability of that ligand to extract Cd and to explore the biological activities of the identified compounds
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