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ANALYSIS OF A MOLECULAR DYNAMICS SIMULATION OF THE ACETYLCHOLINESTERASE ENZYME AND ITS COMPLEX WITH (AXILLARIDINE-A) INHIBITOR
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Molecular dynamics (MD) simulations were carried out in order to investigate the binding mode of axillaridine-A at the active site of human acetylcholinesterase (AChE) enzyme. 2.0 nanosecond of MD simulations was made for the protein and the complex to dynamically explore the active site and the behavior of the ligand at the peripheral AChE binding site. These calculations for the enzyme alone showed that the active site of AChE is located at the bottom of a deep and narrow cavity whose surface is lined with rings of aromatic residues and Tyr72 is almost perpendicular to the Trp286 ring and forms a stable - interaction. The size of the active site of the complex decreases with time due to increase the interaction. Axillaridine-A forms in addition to van der Waals interactions, stable - interaction with the aromatic ring of Tyr117 residue which is responsible for the inhibition of the catalytic activity of the enzyme. Finally because of the biological relevance of the target studied here, the present results can be of interest for the rational design of molecules potentially useful in the treatment of the Alzheimer's disease.

Publication Date
Mon Mar 02 2026
Journal Name
Psychiatry International
Patterns of Substance Use in Medical Students: Evidence from an Iraqi Academic Setting
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Background: Medical students often face substantial psychological stress, which can increase the risk of substance use, professional detriment, and insufficient patient care. However, substance use in medical students remains understudied in Iraq. This study highlights the prevalence, patterns, risk factors, and negative effects of substance use among medical students at the University of Baghdad. A cross-sectional study involving 414 medical students at the University of Baghdad was conducted. The questionnaire included sociodemographic variables and the Alcohol, Smoking, and Substance Involvement Screening Test to screen for psychoactive substance use. The lifetime prevalence of substance use was 38.9%. Among substance users, 42.8

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Publication Date
Sun Mar 01 2026
Journal Name
Journal Of Engineering
Heat Dissipation Performance of High-Power CPUs using Finned Copper Foam Heat Sinks
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Thermal management has become a major issue in the latest high performance computing machines because high CPU temperatures result in inefficient performance and decreased hardware life span. In this work, the cooling performance of a finned metal foam heat sink (FMFHS) was examined. The pore density values of tested copper metal foam (CMF) samples with different values of PPI 5, 10 and 20, with a constant porosity of 90%. For reference, these samples were measured by a conventional Aluminum plate-fin heat sink (CHS). The work was performed under experimental conditions in which air directed over the heat sink surface at air velocities (2.5, 3.0 and 3.5 m/s). The environmental temperature was fixed at 27 °C. Findings

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Publication Date
Wed Mar 29 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Possible Cardiac Adverse Effects Induced by Therapeutic Doses of Ciprofloxacin in Juvenile Rats
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Ciprofloxacin is widely used in treating adults infected with Gram-negative bacteria. It is contraindicated in children, growing adolescents and during pregnancy due to joint toxicity. Its toxicity concerning other organs needs to be clarified. Thus, this study was designed to study the possible cardiac damage induced by two selected doses of ciprofloxacin in juvenile rats.Eighteenth healthy juvenile rats (4 weeks old and their weight 30 ± 2 gm) were utilized in this study and divided into three groups. Group-I control; group II and group III, respectively injected IP with 25 mg/kg and 50 mg/kg ciprofloxacin every 12 hours for one week. Serum enzymes activities alanine aminotransferase (ALT), aspartate aminotransferase  (AST), cr

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Publication Date
Sat Aug 01 2015
Journal Name
Materials Science And Engineering: C
Antibacterial activity of magnetic iron oxide nanoparticles synthesized by laser ablation in liquid
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In this study, (50–110 nm) magnetic iron oxide (α-Fe2O3) nanoparticles were synthesized by pulsed laser ablation of iron target in dimethylformamide (DMF) and sodium dodecyl sulfate (SDS) solutions. The structural properties of the synthesized nanoparticles were investigated by using Fourier Transform Infrared (FT-IR) spectroscopy, UV–VIS absorption, scanning electron microscopy (SEM), atomic force microscopy (AFM), and X-ray diffraction (XRD). The effect of laser fluence on the characteristics of these nanoparticles was studied. Antibacterial activities of iron oxide nanoparticles were tested against Gram-positive; Staphylococcus aureus and Gram-negative; Escherichia coli, Pseudomonas aeruginosa and Serratia marcescens. The results sh

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Publication Date
Tue Nov 01 2016
Journal Name
Renewable Energy
Biodiesel production by esterification of oleic acid over zeolite Y prepared from kaolin
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Publication Date
Sat Apr 19 2025
Journal Name
Plos One
Early Detection of Autism Spectrum Disorder in Children Using Different Machine Learning Algorithms
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Abstract<p>Autism spectrum disorder(ASD) is a neurological condition marked by impaired communication abilities, social detachment, and repetitive behaviors in individuals. Global health organization facing difficulties in establishing an effective ASD diagnostic system that facilitates precise analysis and early autism prediction. It is a scientific issue that necessitates resolution. This research presents an approach for the early prediction of children with ASD utilizing significant variables through machine learning (ML) methods. Three stages comprise the suggested technique. First, a 1250-case ASD dataset was identified and preprocessed. Five extremely effective traits with high Pearson c</p> ... Show More
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Publication Date
Mon Oct 10 2022
Journal Name
Research Journal Of Chemistry And Environment
Synthesis, Antioxidant ability and Docking study for new 4,4'-((2-(Aryl)-1H-benzo[d]imidazole-1,3(2H)- diyl)bis(methylene))diphenol)
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New series of 4,4'-((2-(Aryl)-1H-benzo[d]imidazole1,3(2H)-diyl)bis(methylene))Diphenol(3a-g) was successfully synthesized from cyclization of the reduction product of bis Schiff bases (2) with aryl aldehydes bearing phenolic hydroxyl in the presence of acetic acid. The structure of these compounds was identified from FT-IR, 1H NMR, 13C NMR and EIMs. The Antioxidant capability was screened by DPPH and FRAP assays. Both assays showed antioxidant capability more than BHT as well. Compounds 3b and 3c showed antioxidant capacity slightly less than ascorbic acid. The docking study for theses compound was carried out as III DNA polymerase inhibitor. The results of docking demonstrated that the increase in hinderances around phenolic hydroxyl for t

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Publication Date
Sat May 30 2026
Journal Name
Journal Of Baghdad College Of Dentistry
Caries-Experiences and Dental Treatment Needs among (16-18 Years Old) in High School Girls in Al-Mussayb City, Babylon Governorate
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Background: Numerous epidemiological studies were conducted in Iraq, concerning dental caries and related etiological factors however; most of these studies were concerned with pre-and primary school children and/or those at index ages (12-15years old). At the time studies regarding older ages are very limited. This study was done to determine the prevalence and severity of dental caries and treatment need among high schools girls (16-18 years old) in Al-Mussayb city, Babylon Governorate. Thus, it can be considered as a base line data that allows studying dental caries among permanent dentition, also allows the comparison with other studies in other parts of the world. Material and Method: A total number of 900 high school girls were examin

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Publication Date
Sun Dec 01 2024
Journal Name
Russian Journal Of General Chemistry
Synthesis, Characterization, and Biological Evaluation for New Derivatives Based on 2Сhloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
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Publication Date
Tue Dec 05 2023
Journal Name
Baghdad Science Journal
Red Ginger's Anti-Anxiety Effect on BALB/c Strain Mice (Mus musculus) Pro-Inflammatory and Anti-Inflammatory Measurements as Anxiety Model
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There is a correlation between the occurrence of anxiety and the production of inflammatory mediators, and red ginger rhizome is a well-known herbal product with a high content of phenolic and flavonoid compounds that can be used as anti-inflammatories and antioxidants. The aim of study to evaluate the effect of red ginger as antianxiety in mice (Mus musculus) BALB/c strain by measuring levels of TNF-α, IL-6 and IL-10.  Anxiety model mice were carried out by giving treatment with the Forced Swimming Test (FST) for 7 days then assessed by carrying out the Elevated Plus Maze for Mice (EPM) test for one day. After the treatment, the anxiety mice model was made, followed by administration of red ginger ethanol extract therapy for 14 days.

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