Utilization and simulation of innovative new binuclear Co(ii), Ni(ii), Cu(ii), and Zn(ii) diimine Schiff base complexes in sterilization and coronavirus resistance (Covid-19)
| Autor: | Moamen S. Refat, Ahmed Gaber, Kehkashan Alam, Walaa F. Alsanie, Rozan Zakaria, Mohamed I. Kobeasy |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Metal ions in aqueous solution
Molar conductivity 010402 general chemistry 01 natural sciences Metal chemistry.chemical_compound Diamine Polymer chemistry Materials Chemistry Molecule diimine complex thermogravimetric QD1-999 Diimine Schiff base 010405 organic chemistry Ligand General Chemistry covid-19 protease molecular docking 0104 chemical sciences Chemistry chemistry visual_art visual_art.visual_art_medium antimicrobial |
| Zdroj: | Open Chemistry, Vol 19, Iss 1, Pp 772-784 (2021) |
| ISSN: | 2391-5420 |
| Popis: | This article aimed at the synthesis and molecular docking assessment of new diimine Schiff base ligand, namely 2-((E)-(2-((Z)-2-(4-chlorophenyl)-2-hydroxyvinyl)hydrazono) methyl)-6-methoxyphenol (methoxy-diim), via the condensation of 1-(4-chloro-phenyl)-2-hydrazino-ethenol compound with 2-((E)-(2-((Z)-2-(4-chlorophenyl)-2-hydroxy vinyl) hydrazono)methyl)-6-methoxyphenol in acetic acid as well as the preparation of new binuclear complexes of Co(ii), Ni(ii), Cu(ii), and Zn(ii). The following synthesized complexes were prepared in a ratio of 2:1 (metal/ligand). The 1H-NMR, UV-Vis, and FTIR spectroscopic data; molar conductivity measurements; and microanalytical, XRD, TGA/DTG, and biological studies were carried out to determine the molecular structure of these complexes. According to the spectroscopic analysis, the two central metal ions were coordinated with the diamine ligand via the nitrogen of the hydrazine and oxygen of the hydroxyl groups for the first metal ions and via the nitrogen of the hydrazine and oxygen of the phenol group for the second metal ions. Molecular docking for the free ligand was carried out against the breast cancer 3hb5-oxidoreductase and the 4o1v-protein binding kidney cancer and COVID-19 protease, and good results were obtained. |
| Databáze: | OpenAIRE |
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