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ijs-7424
Synthesis, Characterization, Molecular Docking, and in Vitro Screening of New Metal Complexes Derived from Acyclovir Schiff Base with Ciprofloxacin Ligand
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     In this work, combining acyclovir with ciprofloxacin (CCP), a new Schiff base and its metal complexes with iron (III), manganese (II), copper (II), zinc (II), and calcium (II) ions are synthesized and structurally characterized by XRD, SEM, 1H NMR, 13C NMR, FT-IR, and UV-Visible spectral techniques. Furthermore, molecular docking studies were carried out, and the complexes were tested to resolve any potential hang-ups in opposition to the Herpes virus and DFT calculation studies. In addition, the metal complexes and ligand were screened against antibacterial strains of one gram-positive bacteria (Staphylococcus aureus) and three gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa, and Klebsiella pneumonia), and it was established that these complexes demonstrate dissimilar bustles of inhibition on the enlargement of the bacteria.

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Publication Date
Sat Mar 05 2016
Journal Name
International Journal Of Science And Research (ijsr)
Molecular Docking Studies of Human Ubiquitin Conjugating Enzyme RAD6: A Systematic in Silico Approach
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This study confirms the ubiquitin conjugating enzyme 2B (Rad6) plays a significant role in the DNA repair pathway also because the ubiquitin-conjugating pathway. The DNA repair pathway could be a variety of bypass repair mechanism where the broken base pair is bypassed by permitting the replication fork to labor under the site of injury. This is often done by a shift mechanism wherever deoxyribonucleic acid enzyme - δ is switched with DNA enzyme - η (DNAP - η). Site of DNAP - η is massive enough to permit the broken ester to labor under, and so bypass the broken nucleotide. However, this is often potential solely through the involvement of Proliferating cell nuclear antigen (PCNA) that could be a processivity issue and it acts as a plat

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Publication Date
Tue Jun 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
Adsorption of heavy metal ions using activated carbon derived from Eichhornia (water hyacinth)
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Abstract<p>Removal of heavy metal ions such as, cadmium ion (Cd <sup>2+</sup>) and lead ion (Pb <sup>2+</sup>) from aqueous solution onto Eichhornia (water hyacinth) activated carbon (EAC) by physiochemical activation with potassium hydroxide (KOH) and carbon dioxide (CO<sub>2</sub>) as the activating agents were investigated. The Eichhornia activated carbon was characterized by Brunauer Emmett Teller (BET), Fourier Transform Infrared spectroscopy (FTIR), and Scanning Electron Microscopy (SEM) techniques. Whereas, the effect of adsorbent dosage, contact time of pH, and metal ion concentration on the adsorption process have been investigated using the batch process t</p> ... Show More
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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Synthesis of Some Heterocyclic Compounds Derived from 2-Mercapto Benzoxazole
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New series of 2-mecapto benzoxazole derivatives (1-20) incorporated into fused to different nitrogen and suphur containing heterocyclic were prepared from 2-meracpto benzoxazole, when treated with hydrazine hydrate to afford 2-hydrazino benzoxazol (1). Compound (1) converted to a variety of pyridazinone andphthalazinone derivatives (2-4) by reaction with different carboxylic anhydride. Also, reaction of (1) with phenyl isothiocyanate and ethyl chloro acetate afforded 3-phenyl-1,3-thiazolidin-2,4-dione-2-(benzoxazole-2-yl-hydrazone) (6). Azomethines (7-10) were prepared through reaction of (1) with aromatic aldehyde, then (7, 8) converted to thaizolidinone derivatives (11, 12). Treatment of (1) with active methylene compounds afforded deriva

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Publication Date
Sun Jun 06 2010
Journal Name
Baghdad Science Journal
Synthesis of Some Heterocyclic Compounds derived from 2-mercapto pyrimidine
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In this work 2-hydrazino pyrimidine (1) was prepared from 2-mercapto pyrimidine with hydrazine hydrate. Treatment of (1) with active methylene compounds gave 2-(3,5-dimethyl -1 H – Pyrazole-1-yl) pyrimidine , whereas the reaction of (1) with carboxylic anhydride namely maleic anhydride or 1,2,3,6-tetra hydro phthalic anhydride yielded 1-Pyrimidine-2-yl-1,2-dihydro pyridazine-3,6-dione (3) and 2 – Pyrimidin -2-yl -2,3,4 a ,5,8 a – hexahydro phthalazine 1,4 – dione (4) . Reaction of (1) with phenyl isothiocyanate and ethyl chloro acetate afforded 3-Phenyl-1,3-thiazolidine-2,4-dione-2( pyrimidine -2- yl hydrazone (6) Azomethine (7-10) were prepared through condensation of (1) with aromatic aldehydes or ketones, then comp

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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Synthesis, Spectral Study and Theoretical Treatment of Some Mixing Ligand Complexes of Quinaldic Acid and 1, 10-Phenathroline
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Metal complexes of Cu (II), Fe (III) and Mn (II) with Quinaldic acid (L1) and 1, 10-Phenathroline (L2) are synthesized and characterized by standaral physic- chemical procedures (element analysis, metal analysis, FTIR, Uv-Vis, magnetic moment and conductometeric measurements). On the base of these studies, mononuclear and six coordinated octahedral geometry and nonelectrolyte of these complexes have been proposed. The standard heat of formation (?Hºf) and binding energy (?Eb) for the free ligands and their complexes are calculated by using the PM3 method at 273K of Hyperchem.-8 program. The complexes are more stable than their ligands. Moreover, the electrostatic potential of free ligands are measured to investigate the reactive site of th

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Publication Date
Thu Apr 13 2023
Journal Name
Corrosion And Protection
NEW THERMOTROPIC SYMMETRICAL MESOGENS CONTAINING HETERO RINGS: SYNTHESIS AND CHARACTERIZATION
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A variety of liquid crystals comprising heterocyclics 1,3,4-oxadiazol ring [III], aminooxazol [IV]a, and aminothiazol [IV]b were synthesized through a number of steps, beginning of the reaction of 3, 3'- dimethyl - [1, 1'-biphenyl] -4, 4'- diamin, ethyl monochloroacetate and sodium acetate to synthesize diacetate compound[I]. The diester reacted with hydrazine hydrate(N2H4-H2O) to give dihydrazide compound [II], then reacted with Pyruvic acid and phosphorous oxychloride to produce diketone compound [III]. The last compound was reacted with urea and thiourea to give aminooxazol and aminothiazol respectively. The synthesized compounds actually characterized and determined the structures by melting points, FT-IR and 1H-NMR spectroscopies. By u

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Publication Date
Sun Aug 06 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Determination of pKa and Thermodynamic Data of Some Schiff Bases Derived From 4,6-Dimethyl 2-Amino Pyrimidine
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Acid dissociation constants of some Schiff bases derived from 4, 6-dimethyl 2-amino pyrimidine of the type (1) in 50% V/V dioxane-water mixture in 0.003M KCl, at three different temperatures were determined potentiometrically. The thermodynamic energies were calculated and a good linear correlation was obtained between pKa and IR OH. Stretching frequencies.

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Publication Date
Thu Jan 22 2015
Journal Name
مجلة التربية الاساسية
Synthesis and Characterization of Some New Heterocyclic Compounds Via Unsaturated Ketone with Evaluating of Their biological Activity
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Publication Date
Sun Jan 30 2022
Journal Name
Iraqi Journal Of Science
Synthesis, Characterization, Theoretical Studies and Bioactivity of Pd(II), Rh(III), Ru(III) and Pt(IV) Complexes with 1,8-Naphthalimide Derivative
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A New Mannich base [N-(4-morpholinomethyl)-1,8-naphthalimide] (L), was synthesized and characterized by C.H.N analysis, FTIR, UV-Vis and 1HNMR spectral analysis. Metal ion complexes of (L) with Pt(IV), Rh(III), Ru(III) and Pd(II) ions were prepared and characterized by FT-IR, and UV-Vis spectroscopy, elemental analysis (C.H.N), flame atomic absorption techniques as well as magnetic susceptibility and conductivity measurements. The results showed that metal ion complexes for all complexes were found in [1:2] [M:L] ratio except for Pd(II) complex which was found in [1:1] [M:L] ratio. Hyperchem-8 program has been used to predict structural geometries of the (L) and it's complexes in gas phase. The electrostatic potential (EP) of the (L) was

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Publication Date
Mon Aug 03 2015
Journal Name
Zanco Journal Of Pure And Applied Sciences
Synthesis and Characterization of Some New Substituted 5-Bromo Isatin and Their Antimicrobial Activity
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New 2-amino thiazole ,oxodiazole, sulphonilamide and diazin derivatives of N-(α-chloro aceto)-3-(tolyl imino)-5-bromo-2-oxo-indole(2) have been synthesized .The preparation process started by the reaction of 5-bromo isatin with  P-toluidine in the presence of glacial acetic acid and dimethylformamide(DMF) as a solvent to give  3-(tolyl imino)5-bromo-1H-indole-2-one.(1), Compound (1) with sodium hydride  in dimethylformamide(DMF) at 0C0 gave a suspension of the sodium salt of Schiff base derivative and subsequent reaction with monochloroacetylchloride obtained  the intermediate compound(2).Compound(2) was  reacted with different reagents  in four routes.The first route involved direct reaction with substituted  2-aminobenzothiazole u

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