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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
Tue Oct 26 2021
Journal Name
Periodicals Of Engineering And Natural Sciences (pen)
Achieving urban sustainability by revitalizing the performance of Islamic geometric pattern on residential façades
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Publication Date
Wed Nov 02 2022
Journal Name
Clinical Oral Investigations
Development of a remineralizing calcium phosphate nanoparticle-containing self-etching system for orthodontic bonding
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Abstract<sec> <title>Objectives

This study aimed to incorporate hydroxyapatite nanoparticles (nHA) or amorphous calcium phosphate nanoparticles (nACP) into a self-etch primer (SEP) to develop a simplified orthodontic bonding system with remineralizing and enamel preserving properties.

Materials and Methods

nHA and nACP were incorporated into a commercial SEP (Transbond™ plus) in 7% weight ratio and compared with the plain SEP as a control. Shear bond strengths (SBS), enamel damage, and adhesive remnant index (ARI) scores were evaluated at 24 h

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Publication Date
Mon Oct 01 2018
Journal Name
Iraqi Journal Of Physics
Synthesis of gold nanoparticles by laser ablation on porous silicon for sensing CO2 gas
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In this research, porous silicon (PS) prepared by anodization etching on surface of single crystalline p-type Si wafer, then Gold nanoparticle (AuNPs) prepared by pulsed laser ablation in liquid. NPs deposited on PS layer by drop casting. The morphology of PS, AuNPs and AuNPs/PS samples were examined by AFM. The crystallization of this sample was characterized by X-ray diffraction (XRD). The electrical properties and sensitivity to CO2 gas were investigated to Al/AuNPs/PS/c-Si/Al, we found that AuNPs plays crucial role to enhance this properties.

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Publication Date
Tue Apr 01 2025
Journal Name
Al-kindy College Medical Journal
Al-Kindy College Medical Journal: An Audit of Publications for One Decade (2015-2024)
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The Al-Kindy College Medical Journal (KCMJ) is an Iraqi scholarly journal published by the Al-Kindy College of Medicine, University of Baghdad. It was officially founded in 2004. It is a peer-reviewed journal, published in both online and printed forms. It has a mission to offer a publication platform that mirrors recent knowledge and findings in the field of medicine and medical sciences. It publishes various types of articles, including editorial, review article, research article, brief report, case report, and letter to editor. It accepts articles in the English language. It was biannually published till 2021 when it started to launch three issues per year. The journal is registered with numerous partners, including Iraqi Academi

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Publication Date
Sat Mar 30 2024
Journal Name
Iraqi Journal Of Science
Antifungal Activity of Trichoderma orientale FMR 12486 Crude Extract against Some Human Pathogenic Fungi
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This work aimed to investigate the prevalence of pathogenic fungi and evaluate the antifungal activity of Trichoderma orientale FMR12486 crude extract against pathogenic fungi isolated from patients attending the National Center for Thoracic and Respiratory Diseases (having a history of tuberculosis) and consultant of Dermatology of Baghdad hospital, Iraq. A total of 80 clinical specimens were collected: 20 skin scrapings specimens and 60 sputum specimens. The results of direct examination by KOH 10% and culture showed that 11 (55%) cases from 20 skin specimens were positive for fungal infections, while in the sputum specimens, 28 (47%) cases from 60 were positive. Candida albicans represented the most common fungal infection isolat

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Publication Date
Thu Jun 30 2022
Journal Name
Journal Of Economics And Administrative Sciences
Using Genetic Algorithm to Estimate the Parameters of the Gumbel Distribution Function by Simulation
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In this research, the focus was on estimating the parameters on (min- Gumbel distribution), using the maximum likelihood method and the Bayes method. The genetic algorithmmethod was employed in estimating the parameters of the maximum likelihood method as well as  the Bayes method. The comparison was made using the mean error squares (MSE), where the best  estimator  is the one who has the least mean squared error. It was noted that the best estimator was (BLG_GE).

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Publication Date
Sat Apr 01 2023
Journal Name
Viii. International Scientific Congress Of Pure, Applied And Technological Sciences (minar Congress)
DETERMINING AN APPROPRIATE INITIAL VALUE OF ECCENTRICITY FOR LOW EARTH SATELLITES USING EULER METHOD
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The major goal of this research was to use the Euler method to determine the best starting value for eccentricity. Various heights were chosen for satellites that were affected by atmospheric drag. It was explained how to turn the position and velocity components into orbital elements. Also, Euler integration method was explained. The results indicated that the drag is deviated the satellite trajectory from a keplerian orbit. As a result, the Keplerian orbital elements alter throughout time. Additionally, the current analysis showed that Euler method could only be used for low Earth orbits between (100 and 500) km and very small eccentricity (e = 0.001).

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Publication Date
Wed Nov 01 2017
Journal Name
International Journal Of Greenhouse Gas Control
Wettability of nano-treated calcite/CO2 /brine systems: Implication for enhanced CO2 storage potential
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Nanofluids are proven to be efficient agents for wettability alteration in subsurface applications including enhanced oil recovery (EOR). Nanofluids can also be used for CO2-storage applications where the CO2-wet rocks can be rendered strongly water-wet, however no attention has been given to this aspect in the past. Thus in this work we presents contact angle (θ) measurements for CO2/brine/calcite system as function of pressure (0.1 MPa, 5 MPa, 10 MPa, 15 MPa, and 20 MPa), temperature (23 °C, 50 °C and 70 °C), and salinity (0, 5, 10, 15, and 20% NaCl) before and after nano-treatment to address the wettability alteration efficiency. Moreover, the effect of treatment pressure and temperature, treatment fluid concentration (SiO2 wt%) and

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Publication Date
Fri May 01 2020
Journal Name
Journal Of Physics: Conference Series
The Product of Automorphic Weighted Composition Operators on Hardy Space H <sup>2</sup>
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Abstract<p>Let <inline-formula> <tex-math><?CDATA $n\in {\mathbb{N}},{p}_{i}\in {\rm{U}},{\alpha }_{{P}_{i}}(z)=\frac{{p}_{i}-z}{1-{\bar{p}}_{i}z}(z\in {\rm{U}})$?></tex-math> <math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mrow> <mi>n</mi> <mo>∈</mo> <mi>ℕ</mi> <mo>,</mo> <msub> <mi>p</mi> <mi>i</mi> </msub></mrow></math></inline-formula></p> ... Show More
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Publication Date
Sun Jun 30 2013
Journal Name
College Of Islamic Sciences
 From the jurisprudence of Mrs. Umm Al-Mu'mineen Hafsa bint Omar bin Al-Khattab
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Research Summary
      Praise be to God, Lord of the worlds, and prayers and peace be upon the most honorable of the prophets and messengers, our master Muhammad, and on the good God and his righteous companions.
      For the most truthful hadith is the Book of God Almighty, and the best guidance is the guidance of the Prophet, may God bless him and grant him peace. If any)). Our good predecessor took care of collecting what they were able to collect and arrange from the words of the prophecy issued by our master Muhammad, peace and blessings be upon him, and wrote works on them including forms of support, parts, dictionaries, and mosques. About me, if any, in order to re

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