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)

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-(...

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Autores principales:	Refat Moamen S., Gaber Ahmed, Alsanie Walaa F., Kobeasy Mohamed I., Zakaria Rozan, Alam Kehkashan
Formato:	article
Lenguaje:	EN
Publicado:	De Gruyter 2021
Materias:	diimine complex thermogravimetric covid-19 protease antimicrobial molecular docking Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/d88ec00888a2499baf6601748e318715
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spelling	oai:doaj.org-article:d88ec00888a2499baf6601748e3187152021-12-05T14:10:44ZUtilization 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)2391-542010.1515/chem-2021-0068https://doaj.org/article/d88ec00888a2499baf6601748e3187152021-07-01T00:00:00Zhttps://doi.org/10.1515/chem-2021-0068https://doaj.org/toc/2391-5420This 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.Refat Moamen S.Gaber AhmedAlsanie Walaa F.Kobeasy Mohamed I.Zakaria RozanAlam KehkashanDe Gruyterarticlediimine complexthermogravimetriccovid-19 proteaseantimicrobialmolecular dockingChemistryQD1-999ENOpen Chemistry, Vol 19, Iss 1, Pp 772-784 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	diimine complex thermogravimetric covid-19 protease antimicrobial molecular docking Chemistry QD1-999
spellingShingle	diimine complex thermogravimetric covid-19 protease antimicrobial molecular docking Chemistry QD1-999 Refat Moamen S. Gaber Ahmed Alsanie Walaa F. Kobeasy Mohamed I. Zakaria Rozan Alam Kehkashan 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)
description	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.
format	article
author	Refat Moamen S. Gaber Ahmed Alsanie Walaa F. Kobeasy Mohamed I. Zakaria Rozan Alam Kehkashan
author_facet	Refat Moamen S. Gaber Ahmed Alsanie Walaa F. Kobeasy Mohamed I. Zakaria Rozan Alam Kehkashan
author_sort	Refat Moamen S.
title	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)
title_short	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)
title_full	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)
title_fullStr	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)
title_full_unstemmed	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)
title_sort	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)
publisher	De Gruyter
publishDate	2021
url	https://doaj.org/article/d88ec00888a2499baf6601748e318715
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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)

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