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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 Oct 01 2020
Journal Name
Journal Of Taibah University Medical Sciences
Preparing polycaprolactone scaffolds using electrospinning technique for construction of artificial periodontal ligament tissue
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Objectives The strategies of tissue-engineering led to the development of living cell-based therapies to repair lost or damaged tissues, including periodontal ligament and to construct biohybrid implant. This work aimed to isolate human periodontal ligament stem cells (hPDLSCs) and implant them on fabricated polycaprolactone (PCL) for the regeneration of natural periodontal ligament (PDL) tissues. Methods hPDLSCs were harvested from extracted human premolars, cultured, and expanded to obtain PDL cells. A PDL-specific marker (periostin) was detected using an immunofluorescent assay. Electrospinning was applied to fabricate PCL at three concentrations (13%, 16%, and 20% weight/volume) in two forms, which were examined through field emission

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Publication Date
Fri Feb 21 2025
Journal Name
Applied System Innovation
Utilizing Soft Computing Techniques to Estimate the Axial Permanent Deformation of Asphalt Concrete
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Rutting is a crucial concern impacting asphalt concrete pavements’ stability and long-term performance, negatively affecting vehicle drivers’ comfort and safety. This research aims to evaluate the permanent deformation of pavement under different traffic and environmental conditions using an Artificial Neural Network (ANN) prediction model. The model was built based on the outcomes of an experimental uniaxial repeated loading test of 306 cylindrical specimens. Twelve independent variables representing the materials’ properties, mix design parameters, loading settings, and environmental conditions were implemented in the model, resulting in a total of 3214 data points. The network accomplished high prediction accuracy with an R

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Publication Date
Sat Dec 01 2012
Journal Name
Journal Of Economics And Administrative Sciences
A comparison Some of Methods for Estimating Survival Function for Truncated Exponential Distribution
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Exponential distribution is one of most common distributions in studies and scientific researches with wide application in the fields of reliability, engineering and in analyzing survival function therefore the researcher has carried on extended studies in the characteristics of this distribution.

In this research, estimation of survival function for truncated exponential distribution in the maximum likelihood  methods and Bayes first and second method, least square method and Jackknife dependent in the first place on the maximum likelihood method, then on Bayes first method then comparing then using simulation, thus to accomplish this task, different size samples have been adopted by the searcher us

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Publication Date
Wed Oct 18 2023
Journal Name
Iraqi National Journal Of Nursing Specialties
Effect of Purified l-Hydroxyphenazine Pigment on Lymphocytes Viability Against Experimental Secondary Hydatidosis
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Objectives: To find out the effect of l-hydroxyphenazine (1-HP) on viability of T-lymphocytes and the reflects of this
effect on experimental hyadatidosis on hydatid cyst protoscoleces infectivity in vivo.
Methodology: Four groups of white male /ه/mice were experimentally infected with four concentrations of (1-HP)
with challenge dose of 2000 protoscoleces /1 ml with negative (9.8.5) and positive (P.H.A) control groups.
Results: It has been found that the higher concentrations (75,100) 1101/111 of the (1-HP) causes significant
decrement in the lymphocytes viability in comparison with negative and positive control groups. (060.01).
Recommendations: The study recommended using concentrations lower than 25 pmole Iml which

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Publication Date
Mon Mar 01 2021
Journal Name
Iraqi Journal Of Physics
Studying of Plasma- Polymerized Pyrrole at Variable Gas Flow Rates Via Plasma Jet
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     In this manuscript has investigated the synthesis of plasma-polymerized pyrrole (C4H5N) nano-particles prepared by the proposed atmospheric pressure nonequilibrium plasma jet through the parametric studies, particularly gas flow rate (0.5, 1 and 1.5 L/min). The plasma jet which used operates with alternating voltage 7.5kv and frequency 28kHz. The plasma-flow characteristics were investigated based on optical emission spectroscopy (OES). UV-Vis spectroscopy was used to characterize the  oxidization  state for polypyrrole. The major absorption appears around 464.1, 449.7 and 435.3  nm at the three flow rate of argon gas. The chemical composition and structural properties of the

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Publication Date
Mon Jul 10 2023
Journal Name
Journal Of Engineering
Theoretical Evaluation of Solar Assisted Desiccant Cooling System for a Small Meeting-Hall
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The performance of a solar assisted desiccant cooling system for a meeting-hall located in the College of Engineering/University of Baghdad was evaluated theoretically. The system was composed of four components; a solar air heater, a desiccant dehumidifier, a heat exchanger and an evaporative cooler. A computer simulation was developed by using MATLAB to assess the effect of various design and operating conditions on the performance of the system and its components. The actual weather data on recommended days were used to assess the load variation and the system performance during those days. The radiant time series method (RTS) was used to evaluate the hourly variation of the cooling load. Four operation modes were employed for perform

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Publication Date
Thu Sep 12 2019
Journal Name
Al-kindy College Medical Journal
K. wire fixation versus conservative treatment of closed displaced intra-articular calcaneal fractures
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Background: Calcaneus is a spongy cancellous bone with rich blood supply , its fracture heals more rapidly providing no occurrence of infection and soft tissue injury around ,no gross malposition of fragments. The associated pain leads to a major impairment in life quality. The aim of treatment for calcaneal fractures is the decrease of pain and rebuilding of walking ability for patients with normal foot shape and the ability to wear normal foot wear. To reduce complications, a minimally invasive technique for the treatment of displaced intra-articular fractures of the calcaneus was preferred to use.

The purpose of this study was to determine whether the closed reduction and percutaneous K. wire fixation of displ

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Publication Date
Sat Oct 01 2011
Journal Name
Iraqi Journal Of Physics
The Electric Energy Generation Approach of the Energy Saving House Using Photovoltaic System
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This paper describes a research effort that aims of developing solar models for housing suitable for the Arabian region since the Arabian Peninsula is excelled with very high levels of solar radiation.
The current paper is focused on achieving energy efficiency through utilizing solar energy and conserving energy. This task can be accomplished by implementation the major elements related to energy efficiency in housing design , such as embark on an optimum photovoltaic system orientation to maximize seize solar energy and produce solar electricity. All the precautions were taken to minimizing the consumption of solar energy for providing the suitable air-condition to the inhibitor of the solar house in addition to use of energy effici

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Publication Date
Wed Jan 01 2020
Journal Name
Ieee Access
Single-Phase Grid-Tied Transformerless Inverter of Zero Leakage Current for PV System
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Publication Date
Sun Jan 04 2026
Journal Name
Iraqi Journal Of Biotechnology
Prevalence of exoU/exoS genotype among Pseudomonas aeruginosa isolated from burn wound infections
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Pseudomonas aeruginosa has been identified as the main causative agent responsible for severe infections in burn patients worldwide. This study aimed to investigate the prevalence of the exoU/exoS genotype in P. aeruginosa isolates collected from burn wound infections in Iraq. From January to April 2023, a total of eighty isolates of P. aeruginosawere obtained from patients with burn wound infections in two Iraqi hospitals (Teaching Baghdad Hospital and AL-Yarmok Hospital).The isolates were first identified using biochemical tests and then verified using molecular techniques, specifically by targeting the 16S rRNA gene with specific primers. The exoU/exoS genotype was detected using conventional polymerase chain reaction (PCR) by specifical

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