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In-silico design, molecular docking, molecular dynamic simulations, Molecular mechanics with generalised Born and surface area solvation study, and pharmacokinetic prediction of novel diclofenac as anti-inflammatory compounds
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The prostaglandins inside inflamed tissues are produced by cyclooxygenase-2 (COX-2), making it an important target for improving anti-inflammatory medications over a long period. Adverse effects have been related to the traditional usage of non-steroidal anti-inflammatory drugs (NSAIDs) for the treatment of inflammation, mainly centered around gastrointestinal (GI) complications. The current research involves the creation of a virtual library of innovative molecules showing similar drug properties via a structure-based drug design. A library that includes five novel derivatives of Diclofenac was designed. Subsequently, molecular docking through the Glide module and determining the binding free energy implementing the Prime-MMGBSA module by the Schrödinger software package was used to identify compounds that showed marked specificity towards the COX-2 isoform. In addition, the ligands are subject to evaluation of their drug-like properties and ADMET (absorption, distribution, metabolism, excretion, and toxicity) characteristics using the QikProp module. Finally, molecular dynamics simulation has been calculated for the best molecule. The docking results indicated that all compounds own a predictive capability for specific binding to the COX-2 enzyme compared to the standard drug with a docking score range from -10.07 to -10.66 Kcal/mole, thus potentially overcoming the limitations imposed previously by the drugs currently used in clinical use. The ADMET analysis of the virtually active compounds demonstrated an acceptable drug-like profile and desirable pharmacokinetics properties. MM/GBSA calculation revealed that all the suggested compounds exhibited favorable free binding energies (-49.150 to - 60.185 Kcal/mole), indicating their strong potential to fit well into the COX-2 receptor. Finally, the MD simulation study revealed that compound 1 had perfect alignment with COX-2 receptor. The findings indicated that the compounds possess a predictive capability for specific binding to the COX-2 enzyme, thus potentially surmounting the restrictions imposed by the drugs currently employed in clinical use.

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Publication Date
Sun Dec 04 2011
Journal Name
Baghdad Science Journal
Dopping Effect on Optical Constant of Poly (Vinyl Chloride)
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Thick films of poly(vinyl chloride)(PVC)& PVC doped with Zn(etx)2 salt complex have been prepared by cast method with fixed thickness almost (120±5) Microns. Optical studies were carried out in the wavelengths region(200-900)nm based on absorption & transmition measurement. Optical parameters such as absorption coefficient(?) ,refraction index(n) and extinction coefficient(K) were observed to be effected by adding the dopant.Electrical parameters such as real(?)& imaginary(?) part of dielectric constant were also calculated part of dielectric constant were also calculated from the optical parameters using Maxwell equation.

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Publication Date
Mon Feb 01 2021
Journal Name
Iop Conference Series: Materials Science And Engineering
Separation of oil/water emulsions by microbubble air flotation
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Abstract<p>Oil/water emulsions are one of the major threats to environment nowadays, occurs at many stages in the production and treatment of crude oil. The oil recovery process adopted will depend on how the oil is present in the water stream. Oil can be found as free oil, as an unstable oil/water emulsion and also as a highly stable oil/water emulsion. The current study was dedicated to the application of microbubble air flotation process for the removal of such oily emulsions for its characters of cost-effective, simple structure, high efficiency and no secondary pollution. The influence of several key parameters on the process removal efficiency was examined, namely, initial oil concentration, pH value of t</p> ... Show More
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Publication Date
Sun Nov 01 2020
Journal Name
Iraqi Journal For Electrical And Electronic Engineering
A Systematic Review of Brain-Computer Interface Based EEG
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The futuristic age requires progress in handwork or even sub-machine dependency and Brain-Computer Interface (BCI) provides the necessary BCI procession. As the article suggests, it is a pathway between the signals created by a human brain thinking and the computer, which can translate the signal transmitted into action. BCI-processed brain activity is typically measured using EEG. Throughout this article, further intend to provide an available and up-to-date review of EEG-based BCI, concentrating on its technical aspects. In specific, we present several essential neuroscience backgrounds that describe well how to build an EEG-based BCI, including evaluating which signal processing, software, and hardware techniques to use. Individu

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Publication Date
Thu Mar 30 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Factors Affecting the Formulation of Carbamazepine Extended Release Tablet
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Carbamazepine is an anticonvulsant agent which acts on the central nervous system and used for the treatment of epilepsy. Carbamazepine was formulated as an oral extended release tablets using ethyl cellulose as retardant substance. Different types of tablets additives such as cellulose materials (sodium carboxymethyl cellulose  and microcrystalline cellulose ), lactose, calcium phosphate and solubilizing agents ( sodium lauryl sulphate and polyethylene glycol 6000) were utilized to study their effect on the release profile of drug from ethyl cellulose matrices. It was found that sodium carboxymethyl cellulose increased the carbamazepine release and the same effect was obtained when the same amount of microcrystalline cellulose used

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Publication Date
Wed Jan 01 2020
Journal Name
Systematic Reviews In Pharmacy
The effect of silver nanoparticles on braf gene expression
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The recent studies suggested the possible toxicities or genetic alterations associated with biological and medical applications of silver nanoparticles (AgNPs). The current research is directed to see if AgNPs administration can lead to some changes in expression of BRAF gene in selected body organs tissues. Fifty-six male of musmusculs (Balb/C) mice from the animal house of Al-Nahrain Centre of Biotechnology were used. These animals were divided randomly to seven groups (eight mouse in each group), one of these groups represented the control group, three groups were subjected to different doses of AgNPs (0.25, 0.5and 1 mg/kg of body weight) for one week, and the remaining three groups were subjected to three different doses of AgNP

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Scopus
Publication Date
Sun Jan 01 2017
Journal Name
Journal Of Petroleum Science And Engineering
Nanoparticles influence on wetting behaviour of fractured limestone formation
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Nanoparticles have gained considerable interest in recent times for oil recovery purposes owing to significant capabilities in wettability alteration of reservoir rocks. Wettability is a key factor controlling displacement efficiency and ultimate recovery of oil. The present study investigates the influence of zirconium (IV) oxide (ZrO2) and nickel (II) oxide (NiO) nanoparticles on the wetting preference of fractured (oil-wet) limestone formations. Wettability was assessed through SEM, AFM and contact angle. The potentials of the nanoparticles to alter oil-wet calcite substrates water wet, was experimentally tested at low nanoparticle concentrations (0.004–0.05 wt%). Quite similar behaviour was observed for both nanoparticles at the same

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Publication Date
Mon Aug 28 2023
Journal Name
Cureus
The Enigma of the Impervious Nobel Prize for Neurosurgeons
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Publication Date
Sat Nov 03 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Assessment Types of Domestic Violence Among Iraqi Pregnant Women
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Objective : A descriptive analytical study was conducted on pregnant women who face domestic
violence and receive antenatal services from obstetric wards ikou^V Ctemal ^4M^vrAd\vQ^Ms> "&
Baghdad city, to identify the types of domestic violence on pregnant woman.
Methodology : A purposive sample of one hundred pregnant women with domestic violence was
selected. Data were collected through questionnaire, the period extended from the 20th Feb to the 3rd
May 2006. Descriptive and inferential statistical procedures were used to analyze the data.
Results : The result of the study showed that the highest percentage (26%) of the study sample their
age ranges from (30 - 34) years, most of them were housewife with low s

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Publication Date
Thu Jul 27 2023
Journal Name
Buildings
Structural Behavior of Reactive Powder Concrete under Harmonic Loading
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Industrial buildings usually are designed to sustain several types of load systems, such as dead, live, and dynamic loads (especially the harmonic load produced by rotary motors). In general, these buildings require high-strength structural elements to carry the applied loads. Moreover, Reactive Powder Concrete (RPC) has been used for this purpose because of its excellent mechanical strength and endurance. Therefore, this study provides an experimental analysis of the structural behaviors of reinforced RPC beams under harmonic loads. The experimental program consisted of testing six simply supported RPC beams with lengths of 1500 mm, widths of 150 mm, and thicknesses of 200 mm under harmonic loading with varied frequencies between 1

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Publication Date
Mon Apr 01 2019
Journal Name
Journal Of Engineering
Rehabilitation of Reinforced Concrete Deep Beam by Epoxy Resin
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This investigation presents an experimental and analytical study on the behavior of reinforced concrete deep beams before and after repair. The original beams were first loaded under two points load up to failure, then, repaired by epoxy resin and tested again. Three of the test beams contains shear reinforcement and the other two beams have no shear reinforcement. The main variable in these beams was the percentage of longitudinal steel reinforcement (0, 0.707, 1.061, and 1.414%). The main objective of this research is to investigate the possibility of restoring the full load carrying capacity of the reinforced concrete deep beam with and without shear reinforcement by using epoxy resin as the material of repair. All be

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