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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
Sat Jun 01 2019
Journal Name
Journal Of Economics And Administrative Sciences
Green Innovation and its Impact in Reinforcing Sustainable Competitive Advantage: An Exploratory Study of Opinions of a Sample of Employees in the Karungi group in Kirkuk
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The development of the world, and in light of the intensity of competition highlighted the need to research and create a sustainable competitive advantage is sustained from an internal source in the company earned by the scarcity and difficulty of imitation by competitors, and this source is green innovation. In order to achieve the objective of the research, which is the diagnosis and analysis of the relationship between green innovation (in products, processes) and sustainable competitive advantage in the group of companies Kronji, was developed a default model of the research reflects the nature of the relationship and influence among its variables, the research adopted the questionnaire as a key tool for collecting data and i

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Publication Date
Tue May 01 2018
Journal Name
Journal Of Physics: Conference Series
Multispectral and Panchromatic used Enhancement Resolution and Study Effective Enhancement on Supervised and Unsupervised Classification Land – Cover
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Publication Date
Wed Jan 01 2025
Journal Name
International Journal Of Applied Science And Engineering
Assessment of the properties of asphalt mixtures modified with LDPE and HDPE polymers
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The performance of asphalt pavements is crucial due to heavy traffic loads from civil and industrial developments. Various additives and modifiers are used in flexible roads to improve their resistance to deterioration caused by climatic changes. From this context, modifying the asphalt binder with polymers is popular in asphalt pavement construction. The present research investigates the effect of Polyethylene (PE) polymers in powder form on the characteristics of asphalt mixtures since these polymers are composed of hydrocarbons. It is similar to asphalt binders, making them very effective in enhancing the performance of neat asphalt produced from the oil refinery. To confirm this, two types of PE, High-Density PE (HDPE) and Low-Density P

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Publication Date
Mon Dec 29 1997
Journal Name
كلية العلوم للبنات
Synthesis And Studies Of Complexes Of Some Elements With 2-Mercaptohiazole (2-HMBT)
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Synthesis And Studies Of Complexes Of Some Elements With 2-Mercaptohiazole (2-HMBT)

Publication Date
Mon Aug 31 2015
Journal Name
Ibn Al-haitham Jour.for Pure & Appl.sci.
Isolation and Partial Purifiction of Arginase from Sera of Women with Uterine Fibroids
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The first aim of the present study was performed to assay the activity of arginase in sera of women with uterine fibroid.. This study consisted of(50) women with uterine fibroid as patient's group and (30) healthy women as control group. The age ranged between (30-55) years for the two groups. The results showed that highly significant increase (P< 0.0001) in the arginase activity in sera of women with uterine fibroid (7.99± 0.23) I.U/L is found when compared with healthy group (0.52±0.02) I.U/L. The second aim was performed to isolate arginase from sera of women with uterine fibroids. The purification is done by addition of ammonium sulfate, dialysis, gel filtration chromatography by using sephadex G-50 and ion exchange chromatography

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Publication Date
Thu Mar 16 2017
Journal Name
Ibn Al-haitham J. For Pure & Appl. Sci.
Isolation and Partial Purifiction of Arginase from Sera of Women with Uterine Fibroids
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The first aim of the present study was performed to assay the activity of arginase in sera of women with uterine fibroid.. This study consisted of(50) women with uterine fibroid as patient's group and (30) healthy women as control group. The age ranged between (30-55) years for the two groups. The results showed that highly significant increas (P< 0.0001) in the arginase activity in sera of women with uterine fibroid (7.99± 0.23) I.U/L is found when compared with healthy group (0.52±0.02) I.U/L. The second aim was performed to isolate arginase from sera of women with uterine fibroids. The purification is done by addition of ammonium sulfate, dialysis, gel filtration chromatography by using sephadex G-50 and ion exchange chromatography by

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of Engineering
Serviceability of Post-fire RC Rafters with Openings of Different Sizes and Shapes
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This study deals with the serviceability of reinforced concrete solid and perforated rafters with openings of different shapes and sizes based on an experimental study that includes 12 post-fire non-prismatic reinforced concrete beams (solid and perforated). Three groups were formed based on heating temperature (room temperature, 400 °C, and 700 °C), each group consisting of four rafters (solid, rafters with 6 and 8 trapezoidal openings, and rafter with eight circular openings) under static loading. A developed unified calculation technique for deflection and crack widths under static loading at the service stage has been provided, which comprises non-prismatic beams with or without opening exposed to flexure concentra

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Publication Date
Sat Sep 28 2024
Journal Name
Journal Of International Dental And Medical Research
Effect of Air–Particle Abrasion of Dentin Surface on Shear Bond Strength of Lithium Disilicate to Dentin Using Three Different Cements
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This study aims to evaluate the influence of the air abrasion of dentin on the shear bond strength of lithium disilicate using three different types of luting cements. Sixty cylindrical specimens were milled from lithium disilicate CAD/CAM blocks (IPSe.max CAD). Sixty sound human maxillary premolar teeth were decoronated to the level of peripheral dentin, then randomly divided into three groups according to the type of luting cement used for the cementation of the lithium disilicate specimens (n = 20); Group A: Glass ionomer cement (Riva Self- Cure); Group B: Adhesive resin cement (Rely X Ultimate); Group C: Self-adhesive resin cement (Rely X U200). Each group was then further subdivided into two subgroups (n=10); Subgroups AI, BI, and CI,

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Publication Date
Sat Dec 28 2024
Journal Name
Journal Of Physical Education
The effect of rehabilitation exercises with body weight and rubber resistance on the range of motion and the strength of the sprained ankle muscles in female rugby players
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The study aimed to prepare a set of qualifying exercises to improve the muscular strength of the muscles surrounding the ankle joint by applying different resistances according to the nature of the movement of this joint, which is one of the second moving joints (flexion, extension and rotation of the right and left) in order to increase the efficiency of all muscles working on this joint according to those movements and identification On the impact of these exercises and assume that there will be statistical differences between the two tests of the research sample. The researcher used the semi-articulated experimental method with a pre- and post-test for one group. The injury was evaluated on the women's national team players durin

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Publication Date
Wed Jun 01 2022
Journal Name
Journal Of The College Of Languages
Free will between Slavery and Freedom: A Study of Linda Brent in Incidents in the Life of a Slave Girl by Harriet Jacobs
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Harriet Jacobs was a writer and a reformer. As a female writer in the nineteenth century, Jacobs wrote her narrative as a means of resisting the system of slavery. She wrote her book Incidents in the Life of a Slave Girl: Written by Herself, (1842) to reflect upon the exploitation of the black people and the need to change the hierarchal attitude that governs white/black relations. She was engaged in many abolitionist events and her anti-slavery approach appeared clearly in her writings. She shares Du Bios ideas about freedom and emancipation and the need for a political and cultural change. Thus, Du Bois’s theory provides a framework for her autobiographical novel where she portrays Linda Brent, the main character, a strong wille

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