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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
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Synthesis and Characterization of 2-(2-hydroxy-phenyl)-3-(-R- benzothiazol-2-yl)
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were prepared by condensation of 6-R-2amino bcnzothiazol with Salicyldehyde.These Schiff bases were found to reach with maleic anhydride and citraconic to give

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Publication Date
Thu Mar 31 2016
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Synthesis and Characterization of Nanocrystalline Micro-Mesoporous ZSM-5/MCM-41 Composite Zeolite
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Nanocrystalline micro-mesoporous ZSM/MCM-41 composite was synthesized using alkaline treatment method and two step of crystallization in poly tetraflouroethylene (PTFE) lined autoclave. The synthesized zeolites was characterized by X-Ray diffraction (XRD), Scanning electron microscopy (SEM), Transmission electron microscopy (TEM), Atomic force microscopy (AFM), Fourier transport infrared (FTIR), and N2 adsorption-desorption (BET). It was approved that the best results for alkaline leaching can be got with 1.5M NaOH solution. High surface (BET) area of 630 m2/g with pore volume of 0.55 cm3/g has been got. AFM reports showed a nano-level size for average particle size of 50nm.

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Publication Date
Thu May 23 2013
Journal Name
Journal Of The College Of Basic Education
Synthesis and Characterization of Benzoic Acid 2-Salicylidene Complexes with Selected Metal Ions
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Salicylaldehyde was reacting with 2-amino benzoic acid to produce the Schiff base ligand benzoic acid 2-salicylidene (L). The prepared ligand was identified by Microelemental Analysis, FT.IR and UV-Vis spectroscopic techniques. A new complexes of Co(II),Ni(II),Cu(II) and Zn(II) with Schiff base was prepared in aqueous ethanol with a (1:1) M:L. The prepared complexes were characterized using flame atomic absorption, (C.H.N) Analysis, FT.IR and UV-Vis spectroscopic methods as well as magnetic susceptibility and conductivity measurements. Biological activity of the ligand and complexes against three selected types of bacteria were also examined. Some of the complexes exhibit good bacterial activities. From the obtained data the tetrahedral str

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Publication Date
Tue Mar 05 2024
Journal Name
East European Journal Of Physics
Synthesis, Characterization and Functionalization of P3HT-CNT Nanocomposite Thin Films with Doped Ag2O
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This research focuses on the synthesis of carbon nanotube (CNT) and Poly(3-hexylthiophene) (P3HT) (pristine polymer) with Ag doped (CNT/ P3HT@Ag) nanocomposite thin films to be utilised in various practical applications. First, four samples of CNT solution and different ratios of the polymer (P3HT) [0.1, 0.3, 0.5, and 0.7 wt.%] are prepared to form thin layer of P3HT@CNT nanocomposites by dip-coating method of Ag. To investigate the absorption and conductivity properties for use in various practical applications, structure, morphology, optical, and photoluminescence properties of CNT/P3HT @Ag nanocomposite are systematically evaluated in this study. In this regard, the UV/Vis/NIR spectrophotometer in the wavelength range of 350 to 7

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Publication Date
Mon Jun 01 2020
Journal Name
Iraqi Journal Of Physics
Synthesis and Characterization of (CdO)_1-x Mg_x films by pulsed laser deposition
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In this study, the effect of grafting with magnesium (Mg) ratios (0.1, 0.3, 0.5) on the structural and optical properties of cadmium oxide films (CdO) was studied, as these films were prepared on glass bases using the method of pulse laser deposition (PLD). The crystallization nature of the prepared membranes was examined by X-ray diffraction technique (XRD), which showed that the synthesis of the prepared membranes is polycrystalline, and (AFM) images also showed that the increased deformation with magnesium led to an increase in the grain size ratio and a decrease in surface roughness, as well as the absorption coefficient was calculated. And the optical energy gap for the prepared membranes, where it was found that the absorption coef

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Publication Date
Tue Dec 05 2023
Journal Name
Baghdad Science Journal
Synthesis, Characterization and Properties of Trimethylolpropane Triesters from Coconut (Cocos nucifera) Methyl Esters
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In this study, the acid-alkaline transesterification of refined coconut seed oil (RCOSO) to fatty acid methyl ester was followed by the production of a trimethylolpropane-based thermosensitive biolubricant using potassium hydroxide, and its physicochemical characteristics were evaluated. The American Standard Test for Materials (ASTM) was employed to ascertain the biolubricant's pour point and index of viscosity, which were found to be -4 oC and 283.75, respectively. The opposite connection between lubricant viscosity and temperature was shown by the measured viscosities at varied transesterification to be transformed into biodiesel. Following this, a biolubricant was created by further transesterifiedtemperature. The ester gr

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Publication Date
Tue Jun 02 2020
Journal Name
International Journal Of Pharmaceutical Research
Etodolac Topical Spray Films, Development, Characterization and In-Vitro Evaluation
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Publication Date
Tue May 07 2024
Journal Name
Hayati Journal Of Biosciences
Histological and Molecular Evaluation of the Antiproliferative Activity of Allium ampeloprasum Water Extract Against Oral Mucosa Cell Line (Gingival Cancer)
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Gingival carcinoma is a malignant neoplasm affecting the oral mucosa and is associated with significant morbidity and mortality. Allium ampeloprasum var. porrum water extracts have gotten a lot of attention because of their bioactive components, such as polyphenols, flavonoids, and alkaloids, which have a variety of pharmacological activities, including antiproliferative actions. This study aimed to evaluate the histological and molecular effects of Allium ampeloprasum (leek) water extract on the proliferation of the murine gingival cancer cell line. Histological evaluation was conducted to examine morphological changes induced by extract treatment. Molecular mechanisms underlying the observed histological changes were investigated

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Publication Date
Wed Jun 30 2021
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
SYNTHESIS OF NEW LEVOFLOXACIN SELECTIVE MEMBRANE SENSOR BASED ON MOLECULARLY IMPRINTED POLYMERS.: SYNTHESIS OF NEW LEVOFLOXACIN SELECTIVE MEMBRANE SENSOR BASED ON MOLECULARLY IMPRINTED POLYMERS.
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Two molecular imprinted polymer (MIP) membranes for Levofloxacin (LEV) were prepared based on PVC matrix. The imprinted polymers were prepared by polymerization of styrene (STY) as monomer, N,N methylene di acrylamide as a cross linker ,benzoyl peroxide (BPO) as an initiator and levofloxacin as a template. Di methyl adepate (DMA) and acetophenone (AOPH) were used as plasticizers , the molecular imprinted membranes and the non molecular imprinted membranes were prepared.  The slopes and detection limits of the liquid electrodes ranged from -21.96 – -19.38 mV/decade and 2×10-4M- 4×10-4M, and Its response time was around 1 minute, respectively. The liquid  electrodes were packed with 0.1 M standar

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Publication Date
Mon Jan 01 2024
Journal Name
Russian Journal Of Organic Chemistry
Synthesis and Biological Activity of Some New 1,3,4-Oxadiazoles Derived from Carboxylic Acids
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