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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
Thu Dec 15 2022
Journal Name
Al-academy
Inventory of Saudi youth trends towards choosing fashion accessories
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This research aims to determine the Attitudes Towards Fashion accessories of Saudi youth, and the descriptive analytical method was used in this research. The research sample was 500 youth in Riyadh that age between 20 to less than 40.  The most important results show that young people prefer shoes by 53.2%, that 45.2% of young people prefer acquiring modern designs in fashion accessories, and the research emphasized the importance of studying the impact of rapid economic, social and cultural developments on young people’s attitudes towards fashion and its accessories, directing the attention of Saudi fashion designers towards complements Fashion to offer designs that match their trends

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Publication Date
Fri Sep 15 2017
Journal Name
Research Journal Of Applied Sciences, Engineering And Technology
Graph-Based Text Representation: A Survey of Current Approaches
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Publication Date
Tue Jan 01 2019
Journal Name
Aip Conference Proceedings
Electrical characteristics of nickel/epoxy - Unsaturated polyester blend nanocomposites
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Publication Date
Tue Aug 01 2023
Journal Name
Iop Conference Series: Earth And Environmental Science
Assessment of X-Ray Effects on HF Radio Communications
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Abstract<p>This study aims to determine the effect of x-ray radiation resulting from solar flares in high-frequency radio wave communications through the ionosphere and to study the radio blackout events that occur over Iraq, located within (38,28) latitude, and (38,49) longitude. Using X-ray data during strong X flares and radio wave absorption data across the D ionosphere for 10 years from 2012 to 2021. The study concluded that there were 43 events of x-flare, most of which were during years of high solar activity. All of these flares produced X-rays that caused a radio blackout, R3 and only 13 events affected Iraq.</p>
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Publication Date
Wed Jan 01 2025
Journal Name
Lecture Notes In Networks And Systems
Symlet Analysis for ECG-Based Diagnosis of Heart Dysfunction
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Publication Date
Mon Jan 01 2024
Journal Name
Aip Conference Proceedings
Gamma irradiation effect on characterization of MoO3 nanostructures films
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Publication Date
Thu Feb 12 2026
Journal Name
Journal Of Engineering
Computational Method for Unsteady Motion of Two-Dimensional Airfoil
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A numerical method is developed for calculation of the wake geometry and aerodynamic forces on two-dimensional airfoil under going an arbitrary unsteady motion in an inviscid incompressible flow (panel method). The method is applied to sudden change in airfoil incidence angle and airfoil oscillations at high reduced frequency. The effect of non-linear wake on the unsteady aerodynamic properties and oscillatory amplitude on wake rollup and aerodynamic forces has been studied. The results of the present method shows good accuracy as compared with flat plate and for unsteady motion with heaving and pitching oscillation the present method also shows good trend with the experimental results taken from published data. The method shows good result

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Publication Date
Mon Feb 01 2021
Journal Name
Iop Conference Series: Materials Science And Engineering
The influence of incorporating recycled brick on concrete properties
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Abstract<p>One of the major problems in modern construction is the accumulation of construction and demolition waste; this study thus examines the consumption of waste brick in concrete based on the use of blended nano brick powder as replacement for cement and as a fine aggregate. Seven concrete mixes were developed according to ACI 211.1 using recycled waste brick. Nano powder brick at 0, 5, and 10% was used as a replacement by cement weight, with other mixes featuring 10, 20, and 30% partial replacement by volume of river sand with brick. The experimental results for replacement of cement with nano brick powder showed an enhancement in mechanical properties (compressive, flexural, and tensile strength) at 7,</p> ... Show More
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Publication Date
Fri Jul 01 2016
Journal Name
International Journal Of Advanced Research
Attenuation Coefficient of Reactive Powder Concrete Using Different Energies.
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Linear and mass attenuation coefficient of reactive powder concrete (RPC) sample ( of compressive strength equal to 70 Mpa) using beta particles and gamma ray with different energies have been calculated as a function of the absorber thickness and energy. The attenuation coefficient were obtained using NaI(Tl) energy selective scintillation counter with 90Sr/90Y beta source having an energy rang from (0.546-2.274) MeV and gamma ray energies (0.569, 0.662, 1.063, 1.17 and 1.33) MeV . The attenuation coefficient usually depends upon the energy of radiations and nature of the material. The result represented in graphical forms. Exponential decay was observed. It is found that the capability of reactive powder concrete to absorber beta particle

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Publication Date
Sat Feb 10 2018
Journal Name
Al-nahrain Journal For Engineering Sciences
Properties of Epoxy-Asphalt Pavement Mixture for Bridge Decks
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Improving the ability of asphalt pavement to survive the heavily repeated axle loads and weathering challenges in Iraq has been the subject of research for many years. The critical need for such data in the design and construction of more durable flexible pavement in bridge deck material is paramount. One of new possible steps is the epoxy asphalt concrete, which is classified as a superior asphalt concrete in roads and greatly imparts the level of design and construction. This paper describes a study on 40-50 penetration graded asphalt cement mixed with epoxy to produce asphalt concrete mixtures. The tests carried out are the Marshall properties, permanent deformation, flexural fatigue cracking and moisture damage. Epoxy asphalt mixes perf

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