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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 Feb 16 2013
Journal Name
European Chemical Bulletin Scopus
SYNTHESIS AND CHARACTERISATION OF 4-(4-NITROBENZENEAZO)- 3-AMINOBENZOIC ACID COMPLEXES WITH Y(III) AND La(III) IONS
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Coupling reaction of 4-nitroaniline with 3-aminobenzoic acid provided the corresponding bidentate azo ligand. The prepared ligand was identified by Microelemental Analysis, 1H-NMR, FT-IR, and UV-Vis spectroscopic techniques. Treatment of the prepared ligand with Y(III) and La(III) metal ions in 1:3 M:L ratio in aqueous ethanol at optimum pH yielded a series of neutral complexes with the general formula of [M(L)3]. The prepared complexes were characterized by flame atomic absorption, Elemental Analysis (C, H, N), FT-IR, and UV-Vis spectroscopic methods, as well as conductivity measurements. The nature of the complexes formed were studied following the mole ratio and continuous variation methods; Beer's law obeyed over a concentration range o

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Publication Date
Sat Dec 24 2022
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
A Comparative Study for the Accuracy of Three Molecular Docking Programs Using HIV-1 Protease Inhibitors as a Model
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Flexible molecular docking is a computational method of structure-based drug design to evaluate binding interactions between receptor and ligand and identify the ligand conformation within the receptor pocket. Currently, various molecular docking programs are extensively applied; therefore, realizing accuracy and performance of the various docking programs could have a significant value. In this comparative study, the performance and accuracy of three widely used non-commercial docking software (AutoDock Vina, 1-Click Docking, and UCSF DOCK) was evaluated through investigations of the predicted binding affinity and binding conformation of the same set of small molecules (HIV-1 protease inhibitors) and a protein target HIV-1 protease enzy

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Publication Date
Wed Apr 12 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Science
Synthesis, Characterization and Study Biological Activity of Some New 1, 3, 4-Thiadiazole and Pyrazolone Derivatives Containing Indole Ring
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This work involves synthesis and characterization of some new 1, 3, 4-thiadiazole or pyrazoline derivatives heterocyclic containing indole ring. The new 2-amino-1, 3, 4-thiadiazole derivatives [IV] and [V] a, b were synthesized by cyclization reaction of 2-methyl-1H-indole-carbothiosemicarbazide [III] in H2SO4 acid or by reaction of indole-3-acetic acid or indole-3-butanoic acid with thiosemicarbazide in the presence of phosphorous oxychloride, respectively. Amide derivatives [VI]-[VIII] were synthesized by the reaction equimolar of 2-amino-1, 3, 4-thiadiazoles and (acetyl chloride, benzoyl chloride, anisoyl chloride and heptanoyl chloride) in DMF and pyridine as accepter. The new pyrazolone derivatives [XI] a, b were synthesized from heati

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Publication Date
Wed Apr 12 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis ,Characterization and Study Biological Activity of Some New 1, 3, 4-Thiadiazole and Pyrazolone Derivatives Containing Indole Ring
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   This work involves synthesis and characterization of some new 1, 3, 4-thiadiazole or pyrazoline derivatives  heterocyclic containing indole ring. The new 2-amino-1, 3, 4thiadiazole derivatives[IV] and [V]a, b were synthesized by cyclization reaction of 2-methyl1H-indole-carbothiosemicarbazide[III] in H2SO4 acid or by reaction of indole-3-acetic acid or indole-3-butanoic acid with thiosemicarbazide in the presence of phosphorous oxychloride, respectively. Amide derivatives [VI]-[VIII] were synthesized by the reaction equimolar of 2amino-1, 3, 4-thiadiazoles and (acetyl chloride, benzoyl chloride, anisoyl chloride and heptanoyl chloride) in DMF and pyridine as accepter. The new pyrazolone  derivatives [XI]a, b were s

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Publication Date
Sat Apr 01 2023
Journal Name
Baghdad Science Journal
Impact of Azadirachta indica Fruit Mucilage on particle size and swelling index in Central Composite Designed Acyclovir mucoadhesive microspheres
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The drive of this exploration is to investigate the mucoadhesive assets of A. indica (Azadirachta indica) fruit mucilage by incorporating it into mucoadhesive microspheres with Acyclovir (AVR) as a model drug. The study was performed to check the impact of the mucilage proportion on particle size and swelling index. Nine batches of AVR mucoadhesive microspheres were made with varying proportions of Polyacrylic acid 934P and A. indica fruit mucilage (AIFM). A central composite design with design expert software to check the impact of dependent variables (A. indica mucilage and Polyacrylic acid 934 P levels) on particle size and swelling index as a response. As part of congeniality studies, the batches w

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Publication Date
Sat Mar 31 2007
Journal Name
Um-salama Science Journal
Synthesis and Characterization of the Heavy Metals; Au(III), Pd(II), Pt(IV) and Rh(III) Complexes of S-Propynyl 2-Thiobenzimidazole
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Complexes of Au (III), Pd (II), Pt (IV ) and Rh(III) with S–propynyle-2- thiobenzimidazole (BENZA) have been prepared and characterized by IR and UV- Visible spectral methods in addition to magnetic and conductivity measurements and micro–elemental analysis (CHN).The probable structures of the new complexes have been suggested.

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Publication Date
Tue Dec 16 2014
Journal Name
Iraqi National Journal Of Chemistry
Synthesis of Novel Heterocyclic Compounds via Schiff bases
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In the present study a series of some four-,five-and seven-membered heterocyclic compounds have been synthesized by the reaetion of Schiff bases (1a,b) with chloroacetyl chloride, sodium azide, thioglycolic acid or various anhydrides to give azetidinone (2a,b), tetrazole (3a,b), thiazolidinone (4a,b) and 1,3-oxazepine derivatives (5-8a,b) respectively. Schiff bases (1a,b)were prepared from the reaction of p-toluidine with aromatic aldehydes. All synthesized compounds were characterized by physical properties and spectral data.

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Publication Date
Wed Nov 07 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Effect of metal wire and glass fibers on the impact strength of acrylic denture-base resin
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Objective(s): The aim of this study is to compare the impact strength of a heat cured denture-base acrylic resin
reinforced with metal wire and glass fibers.

Methodology: Forty five specimens were prepared from pink heat cure acrylic resin. Specimens were grouped into;
group-I (control group) which consists of 15 specimens with no reinforcement, group-II which consists of 15 specimens
reinforced with metal wire, and group-III consists of 15 specimens reinforced with glass fibers. Specimens were tested
by using charpy impact machine.

Results: The result showed that there was a highly significant difference in impact strength value among the testing
groups at (P < 0.001).

Conclusion: The impact str

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Publication Date
Sun Apr 30 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis And Characterization of 5-(Mercapto-1,3,4Thiadiazole-2yl)α,α-Diphenyl Methanol From Benzilic Acid
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  5-(mercapto-1,3,4-thiadiazole-2yl)α,α-(diphenyl)methanol have been synthesized by ring closer of potassium xanthate[which  have been prepared by reaction of benzilic acid hydrazide with carbon disulphide in potassium hydroxide] using conc.sulphuric acid at (0-5)°C scheme(I).       Their characterization was carried out from T.L.C, M.P, FT.IR and 1H-NMR.

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Publication Date
Wed Sep 02 2020
Journal Name
International Journal Of Drug Delivery Technology
Synthesis of Levofloxacin Derivatives with some Amines and their Complexes with Copper(II) Salts and Evaluation of their Biological Activity
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Levofloxacin belongs to the fluoroquinolone family; it is a potent broad-spectrum bactericidal agent. The pharmacophore required for significant antibacterial activity is the C-3 carboxylic acid group and the 4-pyridine ring with the C-4 carbonyl group, into which binding to the DNA bases occur. In this work, we tried to show that by masking the carboxyl group through amide formation using certain amines to form levofloxacin carboxamides, an interesting activity is kept. Levofloxacin carboxamides on the C-3 group were prepared, followed by the formation of their copper complexes. The target compounds were characterized by FT-IR, elemental analysis. The antimicrobial activity of the target compounds was evaluated and showed satisfactory resu

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