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Synthesis, Characterization, Molecular Docking, ADMET Study, and Antimicrobial Evaluation of New Mannich Bases of Isatin–Thiazole Imine Bases
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Background: The isatin molecule is present in many natural substances, including plants and animals, and is used to prepare compounds with various biological activities. Objectives: To synthesize a new series of isatin derivatives with the expectation that they will have antimicrobial activity. Methods: Thiazole Schiff bases were synthesized from various Mannich bases of isatin to evaluate their antimicrobial properties. Initially, Mannich bases (2a–e) were synthesized by reacting isatin with formaldehyde and different secondary amines. Subsequently, they were treated with 2-aminothiazole to yield the final compounds (3a–e). Spectroscopic characterization was done via FT-IR and 1H-NMR. The antimicrobial screening was conducted on all derivatives. Molecular docking and ADMET analysis were performed on the final compounds, comparing them with standard drugs (ciprofloxacin and fluconazole). Results: The antimicrobial activity was assessed on two Gram-positive bacteria, Staphylococcus aureus and Bacillus licheniformis; two Gram-negative bacteria, Escherichia coli and Acinetobacter baumannii; and one fungus species, Candida albicans. Molecular docking has recorded higher docking scores for 3d and 3e compared to ciprofloxacin and fluconazole. The virtually active molecules showed an adequate drug-like profile and desired pharmacokinetic properties in the ADMET analysis. Conclusions: Most derivatives displayed significant antimicrobial activity, with compound 3e being the most active, followed by compound 3b. Molecular docking revealed higher scores for compound 3e compared to fluconazole and for compounds 3d and 3e compared to ciprofloxacin. ADMET analysis of compound 3e showed excellent absorption, consistent with its strong GIT absorption.

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Publication Date
Tue Mar 30 2021
Journal Name
Baghdad Science Journal
Spectrophotometric and Spectrofluorimetric Determination of Terazosin in Tablets by Eosin Y
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Simple, sensitive and accurate two methods were described for the determination of terazosin. The spectrophotometric method (A) is based on measuring the spectral absorption of the ion-pair complex formed between terazosin with eosin Y in the acetate buffer medium pH 3 at 545 nm. Method (B) is based on the quantitative quenching effect of terazosin on the native fluorescence of Eosin Y at the pH 3. The quenching of the fluorescence of Eosin Y was measured at 556 nm after excitation at 345 nm. The two methods obeyed Beer’s law over the concentration ranges of 0.1-8 and 0.05-7 µg/mL for method A and B respectively. Both methods succeeded in the determination of terazosin in its tablets

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Publication Date
Thu May 01 2003
Journal Name
Renewable Energy
FT-IR and XPS analysis of a-Si1-xGex:H thin films
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Publication Date
Sat Oct 01 2022
Journal Name
Nuclear Instruments And Methods In Physics Research Section B: Beam Interactions With Materials And Atoms
Shielding properties and buildup factor of Al2O3/PbO-based ceramic materials
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Publication Date
Sun Jan 01 2023
Journal Name
Journal Of The Mechanical Behavior Of Materials
Groundwater flow modeling and hydraulic assessment of Al-Ruhbah region, Iraq
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Abstract<p>Al-Ruhbah region is located in the southwest of Najaf Governorate. A numerical model was created to simulate groundwater flow and analyze the water quality of the groundwater, by developing a conceptual model within the groundwater modeling system software. Nineteen wells were used, 15 for pumping and four for observation. A three-dimensional model was built based on the cross-sections indicating the geologic layers of the study area, which were composed of five layers. When a distance of 1,000 m between the wells was adopted, 135 wells can be operated simultaneously. These wells were hypothetically operated at 6, 12, and 18 h intervals, with a discharge of 200, 430, and 650 m<j></j></p> ... Show More
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Publication Date
Thu Jun 01 2017
Journal Name
Asian Biomedicine
The distribution of cutaneous leishmaniasis in Iraq: demographic and climate aspects
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AbstractBackgroundLeishmaniasis is endemic in Iraq, where both cutaneous and visceral forms of the disease are reported.ObjectivesTo determine the prevalence of cutaneous leishmaniasis (CL) and to identify associations of CL with age, sex, season, and provinces depending on some demographic and climatic aspects.MethodsThis study is retrospective and includes reported cases of infections using the available surveillance database taken from the Iraqi Ministry of Health for the years 2011, 2012, and 2013 for all provinces of Iraq.ResultsMen and boys were found to be at higher risk for CL compared with women and girls. The majority of cases were recorded among those in age groups 5–14 and 15–45 years old. Most cases were recorded from lowla

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Publication Date
Mon Mar 11 2019
Journal Name
Baghdad Science Journal
Determination of Nicotine Extracted from Eggplant and Green Pepper by HPLC
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Nicotine was separated from eggplant and green pepper seeds (Solanaceous) by High Performance Liquid Chromatography (HPLC).The concentration of nicotine in the eggplant extract (0.871-0.877 μg/ml) was determined by injecting standard material with 0.5 and 1.5 μg/ml, while the concentrations of nicotine in green pepper extract (0.613-0.618 μg/ml) was determined when the standard material was injected with 0.5 and 1.5 μg/ml. The qualitative chemical data was calculated from derivations of the standard material. Nicotine concentration was measured qualitatively in both extracts through the calibration curve and method of the standard addition. This technique has high accuracy and compatibility, bringing the proportion of relati

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Publication Date
Sat Jan 01 2022
Journal Name
Materials Today
Behavior of RC columns strengthened by combined (CFRP and steel jacket)
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Publication Date
Tue Dec 01 2020
Journal Name
Journal Of Green Engineering
Assessment and modelling of water quality along Al-Gharraf River (Iraq)
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Publication Date
Wed Jan 01 2025
Journal Name
Current Neuropharmacology
Ischemic Stroke and Autophagy: The Roles of Long Non-Coding RNAs
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Ischemic stroke is a significant cause of morbidity and mortality worldwide. Autophagy, a process of intracellular degradation, has been shown to play a crucial role in the pathogenesis of ischemic stroke. Long non-coding RNAs (lncRNAs) have emerged as essential regulators of autophagy in various diseases, including ischemic stroke. Recent studies have identified several lncRNAs that modulate autophagy in ischemic stroke, including MALAT1, MIAT, SNHG12, H19, AC136007. 2, C2dat2, MEG3, KCNQ1OT1, SNHG3, and RMRP. These lncRNAs regulate autophagy by interacting with key proteins involved in the autophagic process, such as Beclin-1, ATG7, and LC3. Understanding the role of lncRNAs in regulating auto

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Publication Date
Tue Apr 30 2024
Journal Name
Iraqi Journal Of Science
Diagnostic Potential Role of CXCL3 and Leptin Levels in Breast Cancer
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The risk of breast cancer development is believed to be attributed to the alterations of a number of key biological components. Within this context, elevated levels of some chemokines that act as growth factors and can promote cancer development. The current study was designed to evaluate CXCL3 (a chemokine C-X-C Motif Ligand 3) and leptin (a peptide hormone synthesized by adipose tissue with cytokine activity) serum of Iraqi breast cancer patients in comparison to healthy controls. A total of 90 participants consisted of 60 patients diagnosed with breast cancer and 30 healthy women as control group were enrolled into this case-control study. Venous blood samples were collected from all participants to evaluate CXCL3 and leptin serum levels

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