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Synthesis, Characterization of Some Thiourea Derivatives Based on 4-Methoxybenzoyl Chloride as Antioxidants and Study of Molecular Docking
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     Ten new thiourea derivatives 1-10 were prepared in this work using a two-step process that involved reacting 4-methoxybenzoyl chloride with KSCN to afford 4-methoxybenzoyl isothiocyanate. This was followed by reaction with various amines (primary amines, secondary amines, and diamines) to give the aforementioned title products 1-10. These products were characterized by FT-IR, 1H NMR and 13C NMR spectroscopy. Using the DPPH scavenging method, the antioxidant activity of thiourea products was investigated, and derivative 8 had the greatest antioxidant activity in comparison to the other derivatives. Moreover, molecular docking for all compounds was studied using Autodock (4.2.6) software and Bacillus pasteurii urease (pdb id: 4ubp) as a target protein. The best inhibitor activity and docking scores are displayed by compound 7, followed by compounds 5 and 6, which highlight the importance of compounds having two thiourea moieties for higher inhibition activity.

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Publication Date
Thu Apr 29 2010
Journal Name
Journal Of The First Specialized National Conference In Chemistry 29-30 April 2010 University Of Thi-qar College Of Science
Preparation and Characterization of Mixed ligand complexes of Lanthanum (III) with 8- hydroxyqinoline and some amino acids
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Publication Date
Mon Feb 20 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Molecular Study to Detect Genotyping of Giardia lamblia from Human and Cattle Feces in Al-Qadisiya Governorate, Iraq
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The present study is designed to diagnose the giardiasis from cattle and patients with diarrhea arrivals to Maternity and Childhood Teaching Hospital and General Education Hospital in Al-Qadisiya Governorate by using direct wet smear method as well as knowledge of the rate of prevalence of giardiasis in Al- Diwaniyah province, and study the effect of age, sex and nature of residence in the proportions of infection and investigate the genotypes of Giardia lamblia from human and animal feces ,100 samples were collected (50 stool samples of human and 50 feces samples of cattle). In human, the result showed that the infection rate was 54% (27). The age group of 2-4 years showed the highest rate of infection (40.7%), while children aged 8-10

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Publication Date
Thu Oct 26 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Hislopathalogical Changes in the Testes and Epididymis of Mice Fed with Cadmium Chloride
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The  present   research   was  conducted   to  determine   the  effect  of Cadmium   Chlori de  on  the  t  stes  and  epididymis  of  white  mice  fed with  diffl rent  concentration     (75,  1 00 150  ppm)  of this hea  y metal for three,   ix and nine days. The r   ults showed  that cadm i um chloride caused   s  vera!  histopathalogical  change in  testes  and  epidid   mis in  luding deg  neration and cell necrosis  in addition  to the appearanc of  haemorrh

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Synthesis and Spectroscopic Studies of Some transition metal Complexes with Mixed ligand of Metformin and Cysteine
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Mixed ligand complexes of Cu(II), Ni(II) and Co(II) with metformin(MTF) as primary ligand and cysteine(Cys) as secondary ligand have been prepared and characterized by elemental analysis, atomic absorption, molar conductivity, magnetic susceptibility measurements, FTIR,UV-Vis ,1H-NMR and 13C-NMR spectral studies. The elemental analysis, atomic absorption data reveal the formation of [1:1:1] [M:MTF:Cys] complexes.The electronic spectra and magnetic moment measurements reveal the presence of complexes in an octahedral geometry and the molar conductivity studies of the complexes indicate their non-electrolytic nature. The infrared and NMR spectral were showed that the chelation behaviour of the ligands towards selected transition metal ions

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Publication Date
Wed Mar 15 2023
Journal Name
Bionatura
Cytotoxic potential activity of quercetin derivatives on MCF-7 breast cancer cell line
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Many previous investigations have found quercetin to be a powerful antioxidant and antitumor flavonoid, but its poor bioavailability has limited its use. This current study investigated the effects of two newly synthesized Quercetin Schiff bases containing 2-amino thiadiazole-5-thiol (Q1), and its benzyl derivatives (Q2) on MCF-7 human breast cancer cells. Cell viability and apoptosis were assessed to determine the toxic effects of Q1 and Q2. Cytotoxicity valuation showed that both compounds inhibited MCF-7 cell growth, and lactate dehydrogenase (LDH) activity increased in a dose-dependent aspect compared to the control group. Comet assay results observed that Q1 and Q2 induce more serious DNA damage than the control (untreated cell

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Publication Date
Mon Aug 01 2022
Journal Name
Inorganic Chemistry Communications
Study to molecular insight into the role of aluminum nitride nanotubes on to deliver of 5-Fluorouracil (5FU) drug in smart drug delivery
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The adsorption process of 5-Fluorouracil (5FU) drugs on Aluminum nitride nanotubes surface (AlNNTs) have been evaluated through density functional theory (DFT). The DFT results show that the interaction of AlNNTs with the F atoms of 5FU drugs is strong due to the fact that the amount of adsorption energy was about − 29.65 kcal.mol−1. Conversely, the interaction of the 5FU through O atoms with the AlNNTs was weaker due to the lower value of adsorption energy. Also, based on the values of Gibbs free energy, the 5FU adsorption on the surfaces of AlNNTs was spontaneous. In addition, based on natural bond orbital (NBO) analysis, the direction of charge transfer was from fluorine’s σ orbitals of the drug to nitrogen’s and aluminum’s n*

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Publication Date
Thu Jan 16 2025
Journal Name
Journal Of Baghdad College Of Dentistry
The effect of autologous bone marrow-derived stem cells with estimation of molecular events on tooth socket healing in diabetic rabbits (Immunohistochemical study)
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Background: Healing of a tooth extraction socket is a complex process involving tissue repair and regeneration. It involves chemotaxis of appropriate cells into the wound, Transformation of undifferentiated mesenchymal cells to osteoprogenitor cells, proliferation and differentiation of committed bone forming cells, extracellular matrix synthesis, mineralization of osteoid, maturation and remodeling of bone. These cellular events are precisely controlled and regulated by specific signaling molecules. Some of these like transforming growth factor beta (TGF-?), vascular endothelial growth factor (VEGF), bone morphogenetic proteins (BMP) and insulin like growth factors (IGF) are well conserved proteins involved in the initial response to injur

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Publication Date
Sat Jan 05 2019
Journal Name
Iraqi Journal Of Physics
Characterization of (SnO2)1-x(TiO2:CuO)x films as NH3 gas sensor
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Tin dioxide (SnO2) were mixed with (TiO2 and CuO) with concentration ratio (50, 60, 70, 80 and 90) wt% films deposited on single crystal Si and glass substrates at (523 K) by spray pyrolysis technique from aqueous solutions containing tin (II) dichloride Dihydrate (SnCl2, 2H2O), dehydrate copper chloride (CuCl2.2H2O) and Titanium(III) chloride (TiCl3) with molarities (0.2 M). The results of electrical properties and analysis of gas sensing properties of films are presented in this report. Hall measurement showed that films were n-type converted to p- type as titanium and copper oxide added at (50) % ratio. The D.C conductivity measurements referred that there are two mechanisms responsible about the conductivity, hence it possess two act

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Publication Date
Fri Mar 01 2024
Journal Name
Baghdad Science Journal
Molecular detection of the ability of Biosynthesized Titanium dioxide nanoparticles to curing some genes of virulence factors of Entamoeba histolytica
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The present study included the microscopic and molecular identification of Entamoeba histolytica by using specific primers to detect four virulence factors possessed by Entamoeba histolytica. Virulence factors included Active Cysteine proteinase, Galactose/N-acetyl-D-galactose-lectin, Amoeba pore C and Phospholipase. Titanium dioxide nanoparticles (TiO2NPs) were synthesized from Pseudomonas aeruginosa which producing Pyocyanin pigment as a reducing agent to form it. After that we studied the ability ofTiO2NPs to inhibit virulence factors production and curing the genes responsible for encoding them by using four different dose 2 ,3, 4, 6 mg/Kg and administered by intraperitoneal injection

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Publication Date
Tue Jun 01 2021
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Genomics and Molecular Phylogenetics Tree Analysis of Actinopolyspora Iraqiensis
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Actinopolyspora iraqiensis IQ-H1 is a novel strain of actinobacteria isolated from extremely halophilic soil samples in Iraq. The whole-genome sequence of this strain is deposited in the National Center for Biotechnology Information (NCBI) GenBank under the accession number NZ_AICW01000000. In this study, the genome features and the molecular phylogenetic tree of Act. iraqiensis IQ-H1are analyzed. The RAST tool was used for genome annotation. The genomic features were elucidated using QUAST tool. The circular genome map, and the core and pan-genome map of Act. iraqiensis IQ-H1 was generated using CGView and the GView tools respectively. The JSpeciesWS server was used for the tetranucleotide signature analysis a

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