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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 Dec 31 2024
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Role of Inhibin B and Ratio of Luteinizing: Follicle-Stimulating Hormones in Phenotyping Polycystic Ovarian Syndrome
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Background: Polycystic ovary syndrome is among the leading causes of fertility-related problems and menstrual irregularities in women of reproductive age. The granulosa cells of the developing pre-antral and antral follicles produce inhibin B, which triggers chemical responses in the ovaries. Inhibin B is most often observed in the follicular phase when levels peak early and then decline over time Objectives: This study was designed to investigate the role of serum inhibin B and the Luteinizing Hormone / Follicle Stimulating Hormone ratio in differentiation between the different phenotypes of polycystic ovary syndrome as well as to define the predominant PCOS phenotype.  Methods: This cross-sectional research was conducted in the

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Publication Date
Sun Sep 03 2017
Journal Name
Baghdad Science Journal
Effect of plant growth regulators on callus induction and Rutin production of Ricinus communis L. plant
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Ricinus communis L. is an important medical plant hence it contains many active compounds. The aim of this research is to study the effect of plant growth regulators on callus induction and Rutin concentration. A combination of Benzyle adenine (BA) and Indol Acetic acid (IAA) at (0.0,1.0,2.0) mg/L was added to the media, the highest fresh weight of the induced callus from stem explant was (4.97) gr . at (1.0,1.0) mg/L BA and IAA consenquently the same combination gave the highest dry weight of callus (0.42) gr. while the combination at (2.0,1.0) mg/L BA and IAA gave the highest fresh weight of induced callus from Leaves explant (5.28) gr., then (2.0,1.0) mg/L BA and IAA gave the highest dry weight for callus induced from leaves at (0.55

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Publication Date
Sun Jul 13 2025
Journal Name
Iraqi Journal Of Science
Effect of Diode Laser (805) nm on alpha-toxin production and antibiotic sensitivity of Staphylococcus aureus
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Publication Date
Sun Sep 01 2019
Journal Name
Baghdad Science Journal
Studies on Surface Morphology and Electrical Conductivity of PS Thin Films in Presence of Divalent Complexes
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       Optical properties and surface morphology of pure and doped Polystyrene films with different divalent metals of Zn, Cu and Sn and one concentration percentage have been studied. Measurements of UV-Vis spectrophotometer and AFM spectroscopy were determined. The absorbance, transmittance and reflectance spectrums were used to study different optical parameters such as absorption coefficient, refractive index, extinction coefficient and energy gap in the wavelengths rang 200-800nm. These parameters have increased in the presence of the metals. The change in the calculated values of energy gaps with doping metals content has been investigated in terms of PS matrix structural modification. The value of opt

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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Effect of Exogenous Application of Hydrogen Peroxide and Abscisic Acidfor the Wheat Plant Under Salt Stress
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    The experiment was conducted in twodifferentsplaces, one of this experiment in the field was not under salt stress  and the other experiment field was under salt stress.Those experiments were conducted in college of AgricultureDiyalaUniversity  atautmyseason  (2015  - 2016)to study  the salt stress by usingseeds soaking with Hydrogen Peroxide and foliar application in different concentrations ofAbscisic acid.The experiment  statistical design as RCBD was with three replicates.Soaking the seeds withHydrogen  Peroxidetreatments  0 , 10 , 15 ,  20  mmol.L-1.  Three Abscisic acid levels0 , 15 , 30 mg.L1.α -Tocopherol, Catalase Enzyme, Membrane Stability Index,prolin

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Publication Date
Sun Jun 30 2019
Journal Name
Journal Of Engineering
An experimental and numerical investigation of heat transfer effect on cyclic fatigue of gas turbine blade
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Blades of gas turbine are usually suffered from high thermal cyclic load which leads to crack initiated and then crack growth and finally failure. The high thermal cyclic load is usually coming from high temperature, high pressure, start-up, shut-down and load change. An experimental and numerical analysis was carried out on the real blade and model of blade to simulate the real condition in gas turbine. The pressure, temperature distribution, stress intensity factor and the thermal stress in model of blade have been investigated numerically using ANSYS V.17 software. The experimental works were carried out using a particular designed and manufactured rig to simulate the real condition that blade suffers from. A new cont

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Publication Date
Sun Dec 01 2013
Journal Name
Baghdad Science Journal
Estimation of Testosterone, Estradiol and some Markers in Sera of Iraqi Patients with Benign Prostatic Hyperplasia.
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Benign prostatic hyperplasia (BPH) is one of the most common disease and major cause of morbidity in elderly men which may lead to bladder outflow obstruction and lower urinary tract symptoms (LUTS). Although sex steroid hormones play fundamental roles in prostate growth, their clinical significance is not completely clear. In the present study we assessed whether serum hormones levels as markers of prostate disease. This study includes (40) patients with benign prostatic hypertrophy and (40) control group with age rang (41-79) and (42-71) years respectively. The following biochemical investigations have been studied: Testosterone, Estradiol (E2), and Prostatic Specific Antigen (PSA) levels using ELISA method which correlated with t

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Publication Date
Sat Dec 01 2018
Journal Name
Al Mustansiriyah Journal Of Pharmaceutical Sciences
Effect of Lead Exposure on Some Biochemical Parameter of Battery Factory and Benzene Fuel Stations Workers
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Publication Date
Fri Dec 22 2023
Journal Name
Journal Of Optics
Studying the effect of adding Mo on the optical and structural properties of the CoFe2O4 compound
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Publication Date
Wed Jul 17 2024
Journal Name
Journal Of Optics
Influence of concentration on optical and structural properties of zinc sulfide films using spray pyrolysis technique
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