scholarly journals SYNTHESIS, SPECTRAL CHARACTERIZATION OF SCHIFF BASE COMPLEXES BASED ON PYRIMIDINE MOIETY WITH MOLECULAR DOCKING WITH BIOMOLECULES

2018 ◽  
Vol 11 (10) ◽  
pp. 93
Author(s):  
Mohanambal D ◽  
Arulantony S
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Cancer Cells ◽  
Elemental Analysis ◽  
Condensation Reaction ◽  
Spectral Characteristics ◽  
Schiff Base Complexes ◽  
Human Epidermis ◽  
Schiff Base Ligands ◽  
13C Nuclear Magnetic Resonance

Objective: Aim of this study is to synthesize new bidentate complexes of type MX2. nH2O with 4 amino antipyrine and ethyl 4-methyl-2-oxo-6- phenylhexahydropyrimidine-5-carboxylate (DHPM) and to characterize their properties, namely elemental analysis, conductivity measurements, and spectral characteristics and to establish the binding between the Schiff base ligands and complexes with human epidermis cancer cells (Hep-2) through molecular docking.Method: A new bidentate complexes were synthesized by condensation reaction of MX2·nH2O (M = Cu (II), Zn (II), Co (II)) with 4-aminoantipyrine (A) and DHPM in methanol under atmospheric pressure.Results: All the compounds have been characterized by elemental analysis, conductance measurements, magnetic moments, and spectroscopy techniques such as ultraviolet–visible, infrared (IR), 1H and 13C nuclear magnetic resonance, and electron spin resonance (ESR). The IR showed that nature of functional group present in the ligand (Lp) acts as neutral bidentate through the azomethane nitrogen atom and carbonyl oxygen moiety and its complexes formation. The ESR spectral data of copper complex provided information about their structure on the basis of Hamiltonian parameters and degree of covalency. The antimicrobial (Escherichia coli, Salmonella typhi, Bacillus subtilis, and aureus) and antifungal (Candida and Aspergillus niger) activities of the complexes were tested against various microorganism by disc diffusion method.Conclusion: The antimicrobial activity indicates that the metal complexes are more active than the ligand. Molecular docking was used to predict the binding between the Schiff base ligands and complexes with human epidermis cancer cells (Hep-2).

Synthesis, Characterization and Conductivity Study of Schiff Base Ligands Derived from Isatin

2012 ◽  
Vol 554-556 ◽  
pp. 517-521
Author(s):  
Muneera Fatin Manan ◽  
Karimah Kassim ◽  
Mohd Abdul Fatah Abdul Manan
Keyword(s):  
Schiff Base ◽  
Infrared Spectroscopy ◽  
Melting Point ◽  
Elemental Analysis ◽  
Condensation Reaction ◽  
Alternating Current ◽  
Schiff Base Ligands ◽  
Impedance Analyzer ◽  
Electrical Conductivities ◽  
Nuclear Magnetic Spectroscopy

In this study, Schiff base ligands of (E)-3-(2-aminophenylimino)indolin-2-one, (L1); (E)-3-(2-amino-5-nitrophenylimino)indolin-2-one, (L2); and (E)-3-(2-amino-5-chlorophenylimino) indolin-2-one, (L3) were synthesized via condensation reaction of isatin with o-phenylenediamine, 4-nitro-o-phenylenediamine and 4-chloro-o-phenylenediamine respectively. All the synthesized compounds were characterized by various of physicochemical techniques such as melting point, elemental analysis, infrared spectroscopy, and 1H nuclear magnetic spectroscopy. Conductivity studies of these ligands were investigated by impedance analyzer which the samples were prepared in the form of tablets. The electrical conductivities of the prepared compounds were measured by applying alternating current (ac) voltage. The conductivity values were calculated and result obtained shows that L2 has the highest conductivity value, followed by L3 and L1.

Synthesis, spectral characterization, structural studies, molecular docking and antimicrobial evaluation of new dioxidouranium(vi) complexes incorporating tetradentate N2O2 Schiff base ligands

RSC Advances ◽  
2015 ◽  
Vol 5 (115) ◽  
pp. 95104-95117 ◽  
Author(s):  
S. Yousef Ebrahimipour ◽  
Iran Sheikhshoaie ◽  
Jesús Castro ◽  
Michal Dušek ◽  
Zeinab Tohidiyan ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Antimicrobial Activities ◽  
Spectral Characterization ◽  
Schiff Base Complexes ◽  
Spectroscopic Methods ◽  
Structural Studies ◽  
Schiff Base Ligands ◽  
Antimicrobial Evaluation

Two new uranyl(vi) Schiff base complexes were synthesized and characterized by physicochemical and spectroscopic methods. The antimicrobial activities of these complexes were also investigated against microorganisms.

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.

scholarly journals In Vitro Evaluation of the Potential Pharmacological Activity and Molecular Targets of New Benzimidazole-Based Schiff Base Metal Complexes

Antibiotics ◽  
2021 ◽  
Vol 10 (6) ◽  
pp. 728
Author(s):  
Alberto Aragón-Muriel ◽  
Yamil Liscano ◽  
Yulieth Upegui ◽  
Sara M. Robledo ◽  
María Teresa Ramírez-Apan ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Lanthanide Complexes ◽  
Human Tumor ◽  
Model Membranes ◽  
Leishmania Braziliensis ◽  
Cytotoxic Activities ◽  
Schiff Base Ligands ◽  
Major Interest

Metal-based drugs, including lanthanide complexes, have been extremely effective in clinical treatments against various diseases and have raised major interest in recent decades. Hence, in this work, a series of lanthanum (III) and cerium (III) complexes, including Schiff base ligands derived from (1H-benzimidazol-2-yl)aniline, salicylaldehyde, and 2,4-dihydroxybenzaldehyde were synthesized and characterized using different spectroscopic methods. Besides their cytotoxic activities, they were examined in human U-937 cells, primate kidney non-cancerous COS-7, and six other, different human tumor cell lines: U251, PC-3, K562, HCT-15, MCF-7, and SK-LU-1. In addition, the synthesized compounds were screened for in vitro antiparasitic activity against Leishmania braziliensis, Plasmodium falciparum, and Trypanosoma cruzi. Additionally, antibacterial activities were examined against two Gram-positive strains (S. aureus ATCC® 25923, L. monocytogenes ATCC® 19115) and two Gram-negative strains (E. coli ATCC® 25922, P. aeruginosa ATCC® 27583) using the microdilution method. The lanthanide complexes generally exhibited increased biological activity compared with the free Schiff base ligands. Interactions between the tested compounds and model membranes were examined using differential scanning calorimetry (DSC), and interactions with calf thymus DNA (CT-DNA) were investigated by ultraviolet (UV) absorption. Molecular docking studies were performed using leishmanin (1LML), cruzain (4PI3), P. falciparum alpha-tubulin (GenBank sequence CAA34101 [453 aa]), and S.aureus penicillin-binding protein 2a (PBP2A; 5M18) as the protein receptors. The results lead to the conclusion that the synthesized compounds exhibited a notable effect on model membranes imitating mammalian and bacterial membranes and rolled along DNA strands through groove interactions. Interactions between the compounds and studied receptors depended primarily on ligand structures in the molecular docking study.

Synthesis, characterization, antimicrobial, BSA binding, DFT calculation, molecular docking and cytotoxicity of Ni(II) complexes with Schiff base ligands

2021 ◽  
Vol 328 ◽  
pp. 115457
Author(s):  
J. Jeevitha Rani ◽  
A. Mary Imelda Jayaseeli ◽  
S. Rajagopal ◽  
S. Seenithurai ◽  
Jeng-Da Chai ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Dft Calculation ◽  
Schiff Base Ligands ◽  
Bsa Binding

Preparation of Immobilized Chromium Schiff Base Complexes and their Catalytic Performance for Olefins Epoxidation

2014 ◽  
Vol 692 ◽  
pp. 240-244
Author(s):  
Gong De Wu ◽  
Xiao Li Wang ◽  
Zhi Li Zhai
Keyword(s):  
Hydrogen Peroxide ◽  
Schiff Base ◽  
Elemental Analysis ◽  
Catalytic Performance ◽  
Schiff Base Complexes ◽  
Metal Centers ◽  
Chemical Measurements ◽  
Physico Chemical ◽  
Immobilized Complexes ◽  
Mcm 41

A series of transition metal alanine-salicylaldehyde Schiff base chromium (III) complexes immobilized on MCM-41 were prepared and characterized by various physico-chemical measurements such as FIIR, XRD, HRTEM, N2 sorption and elemental analysis. The immobilized complexes were effective and stable catalysts for the epoxidation of styrene and cyclohexene with 30% hydrogen peroxide. Moreover, the metal centers were found to play important roles in the catalytic performance of immobilized complex catalysts.

Synthesis of an Unprecedented H-stitched Binuclear Crystal Structure Based on Selective Fluorescence Recognition of Zn2+ in Newly Synthesized Schiff Base Ligand with DFT and Imaging Application in Living Cells

2021 ◽  
Author(s):  
SOUMYA SUNDAR MATI ◽  
Dr. SAUGATA KONAR ◽  
BOBY SAMAI
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Elemental Analysis ◽  
Schiff Base Ligand ◽  
Binuclear Complex ◽  
Living Cells ◽  
X Ray Diffraction ◽  
Schiff Base Ligands ◽  
X Ray ◽  
Imaging Application

A zinc coordinated rare binuclear complex was synthesised and characterized by elemental analysis and single-crystal X-ray diffraction. Two mononuclear units formed by two Schiff base ligands 2-((2-(pyrimidin-2-yl)hydrazono)methyl)phenol (PHP) coordinated with...

scholarly journals Amalgamation of Novel Schiff Base Ligand and Its Transition Metal Complexes and Their Biological Activity

2019 ◽  
pp. 1-13
Author(s):  
B. Akila ◽  
A. Xavier
Keyword(s):  
Antibacterial Activity ◽  
Schiff Base ◽  
Metal Complexes ◽  
Elemental Analysis ◽  
Schiff Base Ligand ◽  
Electronic Spectroscopy ◽  
Antioxidant Properties ◽  
Salmonella Typhi ◽  
Metal Chelates ◽  
Schiff Base Complexes

Schiff base synthesized from 2-hydroxy-1-naphthaldehyde and 2-2’ (ethylene dioxy) bis ethylenediamine (L1) and its Metal complexes, [M (II) (L)6](where M= Mn(II), Ru(III), Cu(II)and V(V) L= Schiff base moiety), have been prepared and characterized by elemental analysis, spectroscopic measurements (infrared, electronic spectroscopy, 1H-NMR, EPR and Mass spectroscopy ). Elemental analysis of the metal complexes was suggested that the stoichiometry ratio is 1:1 (metal-ligand). The electronic spectra suggest an octahedral geometry for MC1and MC2 Schiff base complexes and distorted octahedral for MC3 and MC4 complexes. The Schiff base and its metal chelates have been screened for their invitro test antibacterial activity against three bacteria, gram-positive (Staphylococcus aureus) and gram-negative (Klebsiella pheneuammonia and Salmonella typhi). Two strains of fungus (Aspergillus niger and Candida albicans). The metal chelates were shown to possess more anti fungal activity compare then antibacterial activity and antioxidant properties. The complexes are highly active than the free Schiff-base ligand.    

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