Syntheses, crystal structures, DFT, molecular docking and inhibition studies of jack been urease by nickel (II) and copper (II) Schiff base complexes

2018 ◽  
Vol 48 (4-5) ◽  
pp. 211-224 ◽  
Author(s):  
Sulakshna Bharti ◽  
Mukesh Choudhary ◽  
Bharti Mohan ◽  
S. R. Sharma ◽  
K. Ahmad
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Crystal Structures ◽  
Schiff Base Complexes ◽  
Inhibition Studies

scholarly journals 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)

2021 ◽  
Vol 19 (1) ◽  
pp. 772-784
Author(s):  
Moamen S. Refat ◽  
Ahmed Gaber ◽  
Walaa F. Alsanie ◽  
Mohamed I. Kobeasy ◽  
Rozan Zakaria ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Metal Ions ◽  
Free Ligand ◽  
Schiff Base Complexes ◽  
Hydroxyl Groups ◽  
Binuclear Complexes ◽  
Central Metal ◽  
H Nmr ◽  
Biological Studies

Abstract 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.

Syntheses, characterizations, crystal structures, and biological activities of two new mixed ligand Ni(II) and Cu(II) Schiff base complexes

2015 ◽  
Vol 68 (4) ◽  
pp. 632-649 ◽  
Author(s):  
S. Yousef Ebrahimipour ◽  
Maryam Mohamadi ◽  
Jesús Castro ◽  
Nasrin Mollania ◽  
Hadi Amiri Rudbari ◽  
...  
Keyword(s):  
Schiff Base ◽  
Crystal Structures ◽  
Biological Activities ◽  
Mixed Ligand ◽  
Schiff Base Complexes
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