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Synthesis, Identification, Antioxidant, Molecular Docking, and In Silico ADME Study for Some New Derivatives Containing Thiourea Moiety
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Objective: Synthesized a series of new thiourea (TU) derivatives, tested their antioxidant activity, and investigated their expected biological activity by theoretical study (computational methods). Methods: The derivatives were made using a one-pot reaction with two steps. Initially, succinyl chloride was mixed with KSCN to make succinyl isothiocyanate. Then, primary and secondary amines were used to make TU derivatives. The theoretical studies were done by Swiss ADME and molecular docking via Genetic Optimization of Linkage Docking (GOLD). Then evaluate antioxidant activity using the DPPH scavenging method. Results: FT-IR, 1H NMR, and 13C NMR spectroscopy show the verification of all the prepared derivatives. Compounds (II), (VIII), (III), and (V) are considered good antioxidant agents compared with L-ascorbic acid as a reference. The most active protein binding sites are on derivatives (IV), (VIII), (II), and (V), respectively. Theoretically, all derivatives have excellent docking scores and good ADME properties. Discussion: Because they have two TU moieties, synthesized derivatives have better docking scores than colchicine in the 1SA0 active site. They also have good ADME properties and antioxidant activity. Conclusions: All synthesized compounds are considered good antioxidant agents. Of all the synthesized compounds, (IV) has the best results compared to colchicine, can be thought of as an excellent antibacterial agent against Escherichia coli, and is an anti-breast cancer.

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Publication Date
Sat Jan 01 2022
Journal Name
P J M H S
Synthesis and Spectro Scopic Study of Some Metal Transition Amino Organic Compounds with N-(2-OXO-1,2-Dihydropyrimidin-4- Ylcarbamothioyl) Acetamide (DPA)
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A New ligand, N-(2-oxo-1,2- Dihydropyrimidin-4- ylcarbamothioyl) Acetamide (DPA) was prepared by reaction of iso thiosyanate derivative with Cytosine. The ligand has been characterized through elemental analysis, H1 NMR, C13NMR, FT-IR, and UV Visible spectra, such ligand’s transition metal complexes have been characterized through conductivity measurement, FT-IR, UV Visible spectra and magnetic susceptibility, all the complexes of this ligand are solid crystal and molar ratio (2:1) (ligand: metal). The form of molecular for these complexes octa hedral. The general formula [M(DPA)2Cl2], where M+2 = (Mn, Co, Ni, Cu, Zn, Cd, Hg).

Publication Date
Tue Jun 17 2025
Journal Name
Baghdad Science Journal
Synthesis and Biological Study of Schiff–Mannich Base Derived from 2-Mercaptobenzimidazole as Chelated Tridentate Ligand with Some Transition Metal Ions Complexes
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To prepare a new ligand, many compounds were used to synthesize Schiff-Mannich base, such as isatin, Para chloro Aniline, 2-mercaptobenzimidazole and indole. The resulting compound 1-((2-((1H-indol-1-ylthio)-1H-benzo[d]imidazol1-yl)methyl)-3-(4-chlorophenylimino)indolin-2-one (L). (L) was used to create a series of metal ion complexes with Co (II), Ni (II), Cu (II), Pd (II), Pt (IV), and Au (III). C.H.N.S., FTIR, mass spectra UV-ViS, 1H-NMR, 13CNMR, magnetic moment, and molar conductivity were used to characterize all of these compounds. Except for the palladium(II) and gold(III) complexes, all of the produced complexes had an octahedral geometry, according to the data. The antibacterial activity of the produced compounds was tested by usin

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Publication Date
Fri Oct 16 2026
Journal Name
Al-fatih Journal
A comparative study of resistance training on land and in the aqueousTo develop some capacity for three Al Wathba
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أن التطور العلمي الحاصل فيما يخص المجال الرياضي أرسى آفاق جديدة لمواكبة التطور الكبير في مجا ل الألعاب والفعاليات الرياضية المختلفة ,و أن تحقيق النتائج الجيدة في فعاليات العاب القوى بشكل عام والثلاثية بشكل خاص في التدريب الرياضي يتطلب إتباع الأساليب العلمية الدقيقة والموضوعية بشكل سليم ومخطط له،فضلا عنة تطبيق نظريات ومنحى جديد لمواكبة الاتجاهات الحديثة في تحقيق النتائج الجيدة للوصول إلى المستويات العالية

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Publication Date
Sat Jul 21 2018
Journal Name
The American Society For Virology's 38th Annual Meeting Will Be Held At The University Of Minnesota In Minneapolis, Mn
Comparative Study of different Predators’ effect on Chlorovirus Amplification Foraging on Zoochlorellae-Containing Paramecia?
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Publication Date
Tue Jun 02 2020
Journal Name
International Journal Of Pharmaceutical Research
Synthesis, characterization and Study Bioactivity of Silver Nanocomposites
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The work include synthesis of nanocomposites (X / S / Ag) based on blend from Xanthan gum / sodium alginate polymers (X / S) with different loading of synthesized silver nanoparticales (0.01, 0.03 and 0.05 wt%) were added to the blend. The silver nanoparticles were prepared by reduction method and were characterized and analyzed using X-ray diffraction (XRD) and Atomic force microscope (AFM). XRD study showed the presence nanoparticle of silver with crystalline nature and face-centered cubic (FCC) structure and an average size of nanoparticles ranging from 32 to 37 nm. The surface study was performed using AFM which showed a fairly uniform shape to the nanocomposites and a spherical nature for the silver nanoparticles. The nanocomposite exh

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Publication Date
Tue Jun 02 2020
Journal Name
International Journal Of Pharmaceutical Research
Synthesis, characterization and Study Bioactivity of Silver Nanocomposites
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Publication Date
Mon Jan 01 2018
Journal Name
Jordan Journal Of Biological Sciences
Expression of biotransformation and antioxidant genes in the liver of albino mice after exposure to aflatoxin B1 and an antioxidant sourced from turmeric (Curcuma longa)
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The present investigation aims to determine the effects of aflatoxin B1 (AFB1) on biotransformation and antioxidant genes and the protective effects of curcumin, present in turmeric (Curcuma longa) powder (TMP). Specifically, the study included four groups of albino mice were fed for 30 days on diet Group I: Control, Group II: animals fed on the conventional basal diet supplemented with 0.5% food grade TMP that supplied 74 mg/kg total curcuminoids. Group III contained animals reared on conventional basal diet supplemented with 1.0 ppm AFB1 supplied by ground aflatoxin culture material (760 ppm AFB1). Finally, Group IV comprised of albino mice fed with basal diet supplemented with 1.0 ppm AFB1 and 0.5% TMP that supplied 74 mg/kg of the

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Publication Date
Fri Jan 01 2021
Journal Name
Anais Da Academia Brasileira De Ciências
Molecular characterization of viruses associated to leaf curl disease complex on zucchini squash in Iraq reveals Deng primer set could distinguish between New and Old World Begomoviruses
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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
A study of some atomic properties for He-like selected ions
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The atomic properties have been studied for He-like ions (He atom, Li+, Be2+ and B3+ions). These properties included, the atomic form factor f(S), electron density at the nucleus , nuclear magnetic shielding constant and diamagnetic susceptibility ,which are very important in the study of physical properties of the atoms and ions. For these purpose two types of the wave functions applied are used, the Hartree-Fock (HF) waves function (uncorrelated) and the Configuration interaction (CI) wave function (correlated). All the results and the behaviors obtained in this work have been discussed, interpreted and compared with those previously obtained.

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Publication Date
Sun Jul 02 2023
Journal Name
Nanomedicine Research Journal
Gold and Silver Nanoparticles with Modified Chitosan /PVA : Synthesis, Study The Toxicity and Anticancer Activity
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The new novel polymers nanocomposites based modified chitosan (CS) blending with polyvinyl alcohol (PVA) and coated gold or silver nanoparticles (AuNPs), AgNPs) were synthesized from many sequence reactions as presented in (Scheme1, 2 and 3). By utilizing 1H-NMR spectroscopy, FTIR, and Field Emission Scanning electron microscope , the synthesized compounds have been identified. Molecular docking is studied, where operations are used to predict the binding status of compounds with the enzyme and to calculate the free energy (ΔG) of the compounds prepared. Also, the antibacterial activity regarding the synthesized compounds against two resistant pathogenic bacteria (G+) S. aureus and E. coli (G-) was examined in vitro compare with standard a

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