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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 Jun 01 2014
Journal Name
Baghdad Science Journal
Clouds Height Classification Using Texture Analysis of Meteosat Images
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In the present work, pattern recognition is carried out by the contrast and relative variance of clouds. The K-mean clustering process is then applied to classify the cloud type; also, texture analysis being adopted to extract the textural features and using them in cloud classification process. The test image used in the classification process is the Meteosat-7 image for the D3 region.The K-mean method is adopted as an unsupervised classification. This method depends on the initial chosen seeds of cluster. Since, the initial seeds are chosen randomly, the user supply a set of means, or cluster centers in the n-dimensional space.The K-mean cluster has been applied on two bands (IR2 band) and (water vapour band).The textural analysis is used

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Publication Date
Sat Jun 01 2013
Journal Name
Journal Of Engineering
Serviceability Performance of Externally Prestressed steel-Concrete Composite Girders
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Publication Date
Sat Jun 01 2013
Journal Name
Engineering And Technology Journal
Effect of External Sulfate Attack on Self Compacted Concrete
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Self-compacting concrete (SCC) is an innovative concrete that does not require vibration for placing and compaction. It is able to flow under its own weight, completely filling formwork and achieving full compaction, even in the presence of congested reinforcement. The effect of external sulfate attack was studied-Es (very sever exposure SO4>10000ppm) according to ACI 318-11. The mix design method of SCC used is according to EFNARC 2002, and then must satisfy the criteria of filling ability, passing ability and segregation resistance. The experimental program focuses to study two different chemical composition of sulfate resistance Portland cement with different percentage of silica fume replacement by weight of cement and W/cm (0.3 and 0.3

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Publication Date
Fri Jul 14 2017
Journal Name
Tenside Surfactant
Oil-Water Interfacial Tensions of Silica Nanoparticle-Surfactant Formulations
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The implementation of nanotechnology in all industries is one of most significant research fields. Nanoparticles have shown a promising application in subsurface fields. On the other hand, various surfactants have been used in the oil industry to reduce oil/water interfacial tension and also widely used to stabilize the nano-suspensions. The primary objective of this study was to investigate the improvements of surfactants ability in term of interfacial tension (γ) reduction utilizing addition of silicon dioxide nanoparticles at different temperatures and salinity. The pendant drop technique has been used to measure γ and electrical conductivity has been used to measure the critical micelle concentration (CMC). The synergistic effects of

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Publication Date
Wed Oct 25 2023
Journal Name
Plos One
Performance enhancement of high order Hahn polynomials using multithreading
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Orthogonal polynomials and their moments have significant role in image processing and computer vision field. One of the polynomials is discrete Hahn polynomials (DHaPs), which are used for compression, and feature extraction. However, when the moment order becomes high, they suffer from numerical instability. This paper proposes a fast approach for computing the high orders DHaPs. This work takes advantage of the multithread for the calculation of Hahn polynomials coefficients. To take advantage of the available processing capabilities, independent calculations are divided among threads. The research provides a distribution method to achieve a more balanced processing burden among the threads. The proposed methods are tested for va

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
New record of the species Spongilla lacustris L. (Porifera)
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The species Spongilla lacustris was identified for the first time in Iraq, it was found during winter 1998 in an irrigation canal within the campus of the University of Baghdad (Jadiriah), water is drawn from Tigris river. The specimens were found in water samples of sizes ranging between 5-50 cm with yellowish color . It was found in two habitats , one as attached on submerged aquatic plant Ceratophyllum sp., and the other on the canal bottom (concret material). Some physico- chemical characters were determined including conductivity ,salinity , pH, total alkalinity, total hardness, Ca ,Mg ,anddissolved oxygen. Water quality was fresh , alkaline, hard and well aerated.

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Publication Date
Sat Nov 04 2023
Journal Name
Migration Letters
The Concept of Reform According to the Quranic Perspective
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This research is an initial attempt to explore the reality of reform and its concept in Islam, and to describe the presence of educational practices in the Arab-Islamic heritage. The importance of this research lies in addressing a number of important issues related to the contemporary Islamic reform system. The research showed the need for authentic educational reform values that draw their reference from the origins of Islam. The research also emphasized the analysis of the reality of education in the Muslim world and the identification of its problems and the search for solutions through a quick and comprehensive look at the diverse contributions of Muslim thinkers to Islamic educational reform thought, and their active role in addressin

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Publication Date
Sat Sep 30 2017
Journal Name
Al-khwarizmi Engineering Journal
Delignification of Date Palm Fronds using Modified Organosolv Technique
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Abstract

  In this study, modified organic solvent (organosolv) method was applied to remove high lignin content in the date palm fronds (type Al-Zahdi) which was taken from the Iraqi gardens. In modified organosolv, lignocellulosic material is fractionated into its constituents (lignin, cellulose and hemicellulose). In this process, solvent (organic)-water is brought into contact with the lignocellulosic biomass at high temperature, using stainless steel reactor (digester). Therefor; most of hemicellulose will remove from the biomass, while the solid residue (mainly cellulose) can be used in various industrial fields. Three variables were studied in this process: temperature, ratio of ethano

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Publication Date
Fri May 07 2021
Journal Name
Pakistan Journal Of Medical Sciences
Treatment options of Adolescent Gestational Diabetes: Effect on Outcome
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Objectives: Teenage pregnancy with gestational diabetes mellitus (GDM) offers a real challenge to the health system and needs a special care. We aimed to evaluate possible obstetrical and neonatal adverse events of different treatment protocols in adolescent GDM including lifestyle, metformin (MTF), and insulin. Methods: All teen pregnant women ≤ 19 years old visiting Baghdad Teaching Hospital throughout four years (from June 1, 2016 till May 31, 2020) diagnosed with GDM were included in this cohort study and followed-up closely throughout pregnancy and after delivery. Included adolescents were put on lifestyle alone during the first week of presentation. Adolescents who reached target glucose measurements were categorized i

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Publication Date
Thu Jul 31 2025
Journal Name
مجلة واسط للعلوم الانسانية
A Schizoanalytic Reading of Crimp’s Attempts on Her Life
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The concept of Assemblage appeared obviously in Postdramatic works, where a character or a text may stand as an assemblage of potentialities in the sense that it signifies unidentified subjectivity. Assemblages are constituted essentially of heterogeneous elements yet fused without specific demarcations. In order to enjoy the desired productivity at a "smooth pace," the regularities of political and societal institutionalization are disseminated. To achieve this dissemination, Deleuze-Guattari suggest an unsatiated platform of a "Body without Organs' (BwO), where desire escapes identification. Martin Crimp (b. 1956) defines his off-stage characters in Attempts on Her Life (1997), Anne, or whatever the name is, as a 'BwO', upon which

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