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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 May 26 2019
Journal Name
Iraqi Journal Of Science
Some Results of (α, β) Derivations on Prime Semirings
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      This paper investigates the concept (α, β) derivation on semiring and extend a few results of this map on prime semiring. We establish the commutativity of prime semiring and investigate when (α, β) derivation becomes zero.

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Flammability action of tires material after adding flame inhibitor
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Magnesium hydroxide was used as flame inhibitor to increased flame resistance for tires .Magnesium hydroxide was adding with (5%,10%) weight percents to rubber master batch of tire and then exposed the resulting material to a flame generated from gas torch with (10 mm) exposure distance . Method of measuring the surface temperature opposite to the flame was used to determine the heat transferred through tire material. The results were obtained shows enhanced flame resistance for tire by added magnesium hydroxide and this resistance increased by increasing hydroxide Percentage .

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Publication Date
Tue Feb 05 2019
Journal Name
Journal Of The College Of Education For Women
The Strategic Effects of Mubarak Great Port on Iraq
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The Iraqi-Kuwaiti relations represent a great issue for the Arab-Arab relations. This relation is characterized by specificity for the tension since the foundation of the State of Kuwait until late. There are many factors that prevented the fulfillment of the aspiration towards the development of the relations, perhaps the most important of which is the issue of Mubarak Great Port which is a difficult issue as far as the relation between the two states is concerned. One year after Iraq put the cornerstone of the Great Faw Port. This is considered as the most important hurdle in front of constructing the relations with the neighbor Kuwait

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Publication Date
Tue Dec 15 2020
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees20
Studying properties of propagated transverse modes through optical fibers
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Publication Date
Thu Sep 01 2022
Journal Name
Iop Conference Series: Earth And Environmental Science
Water Quality Status of Tigris River Using Index Analysis
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Abstract<p>This study investigates the effects of Al-Doura oil refinery effluent, in Baghdad city, on the water quality of the Tigris River using the Canadian Water Quality Index (CCME WQI) and Rivers Maintaining System (1967). Water samples were collected monthly from Tigris River at three stations, which are Al-Muthanna Bridge (upstream), Al-Doura Refinery (point source), and Al–Zafaraniya city (downstream) from October 2020 to April 2021. Fourteen water quality parameters were studied, namely pH (6.50-8.10), Water Temperature (WT) (5.00-27.00 °C), Electrical Conductivity (EC) (877.00-1192.00 μs/cm), Dissolved Oxygen (DO) (5.03-7.57 mg/L), Biological Oxygen demand (BOD) (0.53-2.23 mg/L), Total Dissolved S</p> ... Show More
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Publication Date
Tue Feb 02 2021
Journal Name
International Journal Of Pharmaceutical Research
Antimicrobial Evaluation of Some New Synthesized NHydroxy Phthalimide Derivatives
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In this work, N-hydroxy phthalimide derivatives (NHPID) were synthesized from the nucleuphilic substitution reactions of (NHPI) with different halides (alkyl halides, sulfonyl halides, benzoyl halides and benzyl halides). The products were distinguished using FTIR spectrum and Nuclear magnetic resonsnce (1H-NMR and 13CNMR), in addition to other characteristic methods such as sodium fution for sulfur determination. followed by measuring antibacterial (with different types of gram positive/gram negative bacteria) and antifungal activities of these compounds.

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Publication Date
Thu Jan 01 2015
Journal Name
Chemistry And Materials Research
Anticancer Activity of New Di-Nuclear Copper (I) Complex
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In-vitro biological activities of the free new H4L ( indole-7-thiocarbohydrazone) ligand and its Ni(II), Pd(II) , Pt(II), Cu(II), Ag(I), Zn(II) and Cd(II) complexes are screened against two cancerous cell lines, that revealed significant activity only for [Cu2Cl2(H4L)2(PPh3)2] after 72 h treatment by the highest tested concentrations. The Copper(I) complex was characterized by X-ray Crystallography and the NMR spectra, whereas it has been confirmed to have momentous cytotoxicity against ovarian, breast cancerous cell lines (Caov-3, MCF-7). The apoptosis-inducing properties of the Cu(I) complex have been investigated through fluorescence microscopy visualization, DNA fragmentation analysis and propidium iodide flow cytometry.

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Publication Date
Mon Feb 04 2019
Journal Name
Journal Of The College Of Education For Women
Uses of Precious Stones Among Arab Women Before Islam
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Precious stones enjoyed a high level of goodwill among people in the ancient world as they were considered as important source of their jewels, an effective medicine to cure their diseases and spiritual healing that bring optimism and happiness by holding it especially to those who believe their effects on the Human.
Arab woman didn't abandon the interests of the neighbor civilizations as she coped with them and took what she desired of jewelry like pearls, sapphires and emerald. She used some of precious stones like antimony, magnet and bezoar in prescriptions for curing diseases and injuries. She also used turquoise, onyx and cat eye stone to prevent envy and Exorcism purposes as she thought that these stones could protect her from

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Technology enzyme Alauriz extracted from the seeds of prosperity
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In this study, measuring effectiveness Alauriz in some seeds powder and found that the seeds of-sophistication sex had the highest effective enzymatic reach 353 units / gProtein and Alkabbatah study enzyme extract under different storage conditions and Altaj showed that the enzyme loses Thbatih and whether Mrkbhetwan adding Alklasrin concentration of 10% for the systematic solution

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Performance application of ultraviolet disinfection technique for raw water
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Abstract<p>Microbial water disinfection with UV rays is a universal technology. Disinfection is a method used to treat drinking water. This can be accomplished using physical and/or chemical processes. Physical Methods: Heating and UV rays are two main methods - UV rays to destroy cells and kill bacteria. The physical process generally gives drinking water an instant purification without producing harmful substances. However, there is no pollution in the water to ensure continuous cleaning. This study’s primary goal is to obtain environmentally safe drinking water in situations of water shortages and homes that lack clean water. Therefore, resort to appropriate home treatment. Therefore, an ex</p> ... Show More
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