Synthesis and Diagnoses of New Metal Ions Complexes derived from Trimethoprim Schiff Bases

2021 ◽  
pp. 4963-4968
Author(s):  
Rana R. Abed ◽  
Abeer S. Mohammad ◽  
Fadia J. Ahmed
Keyword(s):  
Metal Ions ◽  
Biological Activities ◽  
Condensation Reaction ◽  
Molar Refraction ◽  
Tridentate Ligand ◽  
Basic Medium ◽  
Element Analysis ◽  
Imine Nitrogen ◽  
Flame Atomic Absorption ◽  
Manganese Salts

A New Schiff base (o-hydroxy benzylidene trimethoprim) derived from trimethoprim (known as a drug) was used as a ligand in this study, has been synthesized by condensation reaction from equal amounts of ortho hydroxybenzaldehyde and trimethoprim. This was then used for the preparation of new complexes by the reaction with Zinc and Manganese salts. The synthesized complexes were in the formula [M(OHTMP)2]X2 in the natural medium and [M(OHTMP)2-H] in basic medium (M=Zn, Mn, OHTMP = o-hydroxy benzylidene trimethoprim X= CH3COO, NO3, Cl2). The prepared complexes were diagnosed and characterized by employing FT-IR, 1H- NMR, CHN element analysis, molar conductivity, Molar refraction and flame atomic absorption techniques. Spectroscopic results proved the chelation behavior of this ligand. It coordinated to the metal ions as a tridentate ligand, via the imine nitrogen, azo methine, and phenolic oxygen atoms. According to the obtained results, octahedral geometry has been suggested for prepared complexes. The biological activities of the prepared ligand and complexes against Gram-positive bacteria (Staphylococcus aureus), Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa, and Klebsiella spp.) have being conducted. Both, the ligand and complexes showed anti-bacterial activities, beter than that of the Trimethoprim.

Chalcones: As potent α-amylase enzyme inhibitors; synthesis, in vitro, and in silico studies

2020 ◽  
Vol 16 ◽  
Author(s):  
Mahboob Ali ◽  
Momin Khan ◽  
Khair Zaman ◽  
Abdul Wadood ◽  
Maryam Iqbal ◽  
...  
Keyword(s):  
In Silico ◽  
Enzyme Inhibitors ◽  
Biological Activities ◽  
Condensation Reaction ◽  
Type Ii Diabetes Mellitus ◽  
Spectroscopic Techniques ◽  
Chalcone Derivatives ◽  
In Silico Studies ◽  
Wide Range

: Background: The inhibition of α-amylase enzyme is one of the best therapeutic approach for the management of type II diabetes mellitus. Chalcone possesses a wide range of biological activities. Objective: In the current study chalcone derivatives (1-17) were synthesized and evaluated their inhibitory potential against α-amylase enzyme. Method: For that purpose, a library of substituted (E)-1-(naphthalene-2-yl)-3-phenylprop-2-en-1-ones was synthesized by ClaisenSchmidt condensation reaction of 2-acetonaphthanone and substituted aryl benzaldehyde in the presence of base and characterized via different spectroscopic techniques such as EI-MS, HREI-MS, 1H-, and 13C-NMR. Results: Sixteen synthetic chalcones were evaluated for in vitro porcine pancreatic α-amylase inhibition. All the chalcones demonstrated good inhibitory activities in the range of IC50 = 1.25 ± 1.05 to 2.40 ± 0.09 μM as compared to the standard commercial drug acarbose (IC50 = 1.34 ± 0.3 μM). Conclusion: Chalcone derivatives (1-17) were synthesized, characterized, and evaluated for their α-amylase inhibition. SAR revealed that electron donating groups in the phenyl ring have more influence on enzyme inhibition. However, to insight the participation of different substituents in the chalcones on the binding interactions with the α-amylase enzyme, in silico (computer simulation) molecular modeling analyses were carried out.

DFT Study and Synthesis of Novel Bioactive Bispyrazole Using Mg/AlLDH as a Solid Base Catalyst

2020 ◽  
Vol 14 ◽  
Author(s):  
Soufiane Akhramez ◽  
Youness Achour ◽  
Mustapha Diba ◽  
Lahoucine Bahsis ◽  
Hajiba Ouchetto ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Experimental Finding ◽  
Biological Activities ◽  
Condensation Reaction ◽  
Aromatic Aldehydes ◽  
Mechanistic Study ◽  
Knoevenagel Reaction ◽  
Solid Base ◽  
Reaction Conditions ◽  
Aryl Aldehyde

Background: In this study, an efficient synthesis of novel bispyrazole heterocyclic molecules by condensation of substituted aromatic aldehydes with 1,3-diketo-N-phenylpyrazole by using Mg/Al-LDH as heterogeneous catalyst is reported. The attractive features of this protocol are as follows: mild reaction conditions, good yields and easiness of the catalyst separation from the reaction mixture. Further, a mechanistic study has been performed by using DFT calculations to explain the observed selectivity of the condensation reaction between aryl aldehyde and 1,3-diketo-N-phenylpyrazole via Knoevenagel reaction. The local electrophilicity/ nucleophilicity that allows explaining correctly the experimental finding. Methods: The bispyrazole derivatives 3a-m were prepared by condensation reaction of substituted aromatic aldehydes with 1,3-diketo-Nphenylpyrazole by using Mg/Al-LDH as heterogeneous catalyst under THF solvent at the refluxing temperature. Objective: To synthesize a novel bispyrazole heterocyclic molecule may be have important biological activities and thus can be good candidates for pharmaceutical applications. Results: This protocol describes the Synthesis of Bioactive Compounds under mild reaction conditions, good yields and easiness of the catalyst separation from the reaction mixture. Further, a mechanistic study has been performed by using DFT calculations to explain the observed selectivity of the condensation reaction between aryl aldehyde and 1,3-diketo-N-phenylpyrazole via Knoevenagel reaction. The local electrophilicity/ nucleophilicity that allows explaining correctly the experimental finding. Conclusion: In summary, the pharmacologically interesting bis-pyrazole derivatives have been synthesized through Mg/Al-LDH as a solid base catalyst, in THF as solvent. Thus, the synthesized bioactive compounds containing the pyrazole ring may be have important biological activities and thus can be good candidates for pharmaceutical applications. Therefore, the catalyst Mg/Al-LDH showed high catalytic activity. Besides, a series of bispyrazole molecules were synthesized with a good yield and easy separation of the catalyst by simple filtration. Moreover, DFT calculations and reactivity indexes are used to explain the selectivity of the condensation reaction between aryl benzaldehyde and 1,3-diketo-Nphenylpyrazole via Knoevenagel reaction, and the results are in good agreement with the experimental finding.

scholarly journals The Solid Phase Extraction of Some Metal Ions Using Palladium Nanoparticles Attached to Silica Gel Chemically Bonded by Silica-Bonded N-Propylmorpholine as New Sorbent prior to Their Determination by Flame Atomic Absorption Spectroscopy

2012 ◽  
Vol 2012 ◽  
pp. 1-9 ◽  
Author(s):  
M. Ghaedi ◽  
M. Rezakhani ◽  
S. Khodadoust ◽  
K. Niknam ◽  
M. Soylak
Keyword(s):  
Electron Microscopy ◽  
Metal Ions ◽  
Silica Gel ◽  
Solid Phase ◽  
Food Samples ◽  
Natural Food ◽  
Modified Silica Gel ◽  
Flame Atomic Absorption ◽  
Relative Standard

In this research at first palladium nanoparticle attached to a new chemically bonded silica gel has been synthesized and has been characterized with different techniques such as X-ray diffraction (XRD), fourier transform infrared (FT-IR), transmission electron microscopy (TEM), and scanning electron microscopy (SEM). Then, this new sorbent (chemically modified silica gel with N-propylmorpholine (PNP-SBNPM)) was efficiently used for preconcentration of some metal ions in various food samples. The influence of effective variables including mass of sorbent, flow rate, pH of sample solutions and condition of eluent such as volume, type and concentration on the recoveries of understudy metal ions were investigated. Following the optimization of variables, the interfering effects of some foreign ions on the preconcentration and determination of the investigated metal ions described. At optimum values of variables, all investigated metal ions were efficiently recovered with efficiency more than 95%, relative standard deviation (RSD) between 2.4 and 2.8, and detection limit in the range of 1.4–2.7 ng mL−1. The present method is simple and rapidly applicable for the determination of the understudied metal ions (ng mL−1) in different natural food samples.

Two new calix[4]resorcinarene-based coordination cages adjusted by metal ions for the Knoevenagel condensation reaction

2021 ◽  
Author(s):  
Wen-Yuan Pei ◽  
Bing-Bing Lu ◽  
Jin Yang ◽  
Tianqi Wang ◽  
Jian-Fang Ma
Keyword(s):  
Metal Ions ◽  
Knoevenagel Condensation ◽  
Condensation Reaction ◽  
Solvent Free ◽  
Catalytic Activities ◽  
Solvent Free Conditions ◽  
Coordination Cages ◽  
Knoevenagel Condensation Reaction

Two new calix[4]resorcinarene-based metal-coordinated cages have been synthesized through tuning metal ions, where they featured catalytic activities for the Knoevenagel condensation reaction under solvent-free conditions.

scholarly journals Nano-Azo Ligand and Its Superhydrophobic Complexes: Synthesis, Characterization, DFT, Contact Angle, Molecular Docking, and Antimicrobial Studies

2020 ◽  
Vol 2020 ◽  
pp. 1-19
Author(s):  
Gehad G. Mohamed ◽  
Walaa H. Mahmoud ◽  
Ahmed M. Refaat
Keyword(s):  
Crystal Structure ◽  
Contact Angle ◽  
Molecular Docking ◽  
Metal Ions ◽  
Metal Complexes ◽  
Biological Activities ◽  
Thermal Studies ◽  
Free Ligand ◽  
Aminobenzoic Acid ◽  
Azo Ligand

Metal complexes of the 2,2'-(1,3-phenylenebis(diazene-2,1-diyl))bis(4-aminobenzoic acid) diazo ligand (H2L) derived from m-phenylenediamine and p-aminobenzoic acid were synthesized and characterized by different spectral, thermal, and analytical tools. The H2L ligand reacted with the metal ions Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) as 1 : 1 stoichiometry. All complexes displayed an octahedral geometry according to the electronic and magnetic moment measurements. The IR spectra revealed the binding of the azo ligand to the metal ions via two azo nitrogen atoms and protonated carboxylate O in a neutral tetradentate manner. Both IR and 1H NMR spectra documented the involvement of the carboxylate group without proton displacement. The thermal studies pointed out that the complexes had higher thermal stability comparable with that of the free ligand. SEM images revealed the presence of the diazo ligand and its Cd(II) complex in a nanostructure form. The contact angle measurements proved that the Cd(II) complex can be considered as a superhydrophobic material. The molecular and electronic structure of H2L and [Cd(H2L)Cl2].H2O were optimized theoretically, and the quantum chemical parameters were calculated. The biological activities of the ligand, as well as its metal complexes, have been tested in vitro against some bacteria and fungi species. The results showed that all the tested compounds have significant biological activities with different sensitivity levels. The binding between H2L and its Cd(II) complex with receptors of the crystal structure of S. aureus (PDB ID: 3Q8U), crystal structure of protein phosphatase (PPZ1) of Candida albicans (PDB ID: 5JPE), receptors of breast cancer mutant oxidoreductase (PDB ID: 3HB5), and crystal structure of Escherichia coli (PDB ID: 3T88) was predicted and given in detail using molecular docking.

scholarly journals Formation of New Ligands Imine- (Oxazole, Thiazole, Thiophene) And Study of (Chemical Investigation and Chromatographic Applications)

2018 ◽  
Vol 7 (4.36) ◽  
pp. 580
Author(s):  
Mostafa N. Mohamed Salih ◽  
Zaid Noor ObaidAl-Husseini ◽  
Nagham Mahmood Aljamali
Keyword(s):  
1H Nmr ◽  
Condensation Reaction ◽  
Cyclization Reaction ◽  
Chemical Investigation ◽  
Basic Medium ◽  
Thiazole Derivatives ◽  
Imine Group ◽  
Thiophene Derivatives ◽  
Uv Visible ◽  
Imine Ligands

(Oxazole, Thiazole, Thiophene) derivatives- Imine ligands were synthesized in this paper by using  many  reactions such as cyclization  reaction,  chalcone  reaction  in  basic  medium, condensation  reaction  to format four new ligands included heterocycles represented by oxazole, thiophene, thiazole derivatives with imine group in same compounds. The four ligands have been identified by several methods such as spectra of (UV-Visible investigation, 1H NMR, FT.IR) and study of chromatographic applications for all ligands. 

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