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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
Wed Dec 01 2021
Journal Name
Baghdad Science Journal
Study of Certain Biomarkers in Iraqi Female Patients with Breast Cancer
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The prospective study has been designed to determine some biomarkers in Iraqi female patients with
breast cancer. The current study contained 30 patients whose tissue samples have been collected from
hospitals in Medical City in Baghdad after consent patients themselves and used immunohistochemical
technique to determine these markers. The results showed a significant correlation between ER and PR tissue
markers (Sig = 0.000) and a significant correlation between cyclin E phenotype and cyclin E intensity (Sig =
0.001).

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Publication Date
Mon Feb 28 2022
Journal Name
Journal Of Educational And Psychological Researches
Neurological Perfectionism in Talented Individuals with Disabilities “Case Study”
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The study aims to identify the neurological perfectionism of talented girls with disabilities and do a case study for one of these girls. The sample of the study consisted of (11) female students at the university level, 5 females with disability and (6) normal female-students. The sample also included (19) secondary school female students in Tabuk region, including 10 students with visual disability and (9) normal students. The case study was limited to one case of mentally superior girls (talented) with kinetic disability. The researcher adopted the descriptive methodology (case study), he used neurological perfectionism scale, Salah Mekhemar interview, Stanford interfacial intelligence scale fifth picture, case study form. The re

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Publication Date
Fri Jun 07 2024
Journal Name
Medicine
Impact of TYMS gene polymorphism on the outcome of methotrexate treatment in a sample of Iraqi rheumatoid arthritis patients – identification of novel single nucleotide polymorphism: Cross-sectional study
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The current work aims to evaluate the association between genetic mutations in thymidylate synthetase (TYMS gene in exon1 and partial regions of promotor and intron 1 [877 bp, 657,220–658,096 bp]) and the therapeutic outcomes for rheumatoid arthritis (RA) Iraqi patients. An observational cross-sectional study involving 95 RA patients with established RA patients based on their methotrexate treatment responsiveness. Genetic sequencing of the TYMS gene was performed for all patients according to the instruction manuals of the sequencing company (Macrogen Inc. Geumchen, South Korea). Four polymorphisms were identified by sequencing 95 randomly selected patients in the noncoding region of TYMS

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Publication Date
Tue Mar 31 2015
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Performance of Corrosion Inhibitors Blend for Simulated Industrial Cooling Waters under Dynamic Conditions
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   The inhibitive action of a blend of sodium nitrite/sodium hexametaphosphate (SN+SHMP) on corrosion of carbon steel in simulated cooling water systems (CWS) has been investigated by weight loss and electrochemical polarization technique. The effect of temperature, velocity, and salts concentrations on corrosion of carbon steel were studied in the absence and presence of mixed inhibiting blend. Also the effect of inhibitors blend concentrations (SN+SHMP), temperatures, and rotational velocity, i.e., Reynolds number (Re) on corrosion rate of carbon steel were investigated using Second-order Rotatable Design (Box-Wilson Design) in performing weight loss and corrosion potential approach. Electrochemical polarization measurements

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Publication Date
Tue Sep 01 2015
Journal Name
2015 Ieee International Circuits And Systems Symposium (icsys)
Investigating the impact of on-chip interconnection noise on Dynamic Thermal Management efficiency
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Dynamic Thermal Management (DTM) emerged as a solution to address the reliability challenges with thermal hotspots and unbalanced temperatures. DTM efficiency is highly affected by the accuracy of the temperature information presented to the DTM manager. This work aims to investigate the effect of inaccuracy caused by the deep sub-micron (DSM) noise during the transmission of temperature information to the manager on DTM efficiency. A simulation framework has been developed and results show up to 38% DTM performance degradation and 18% unattended cycles in emergency temperature under DSM noise. The finding highlights the importance of further research in providing reliable on-chip data transmission in DTM application.

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Publication Date
Sun Mar 01 2020
Journal Name
Baghdad Science Journal
Dynamic Response of a Nonlinear Fabry-Perot Etalon for Various Medium Response Times
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     In this work, the switching nonlinear dynamics of a Fabry-Perot etalon are studied. The method used to complete the solution of the differential equations for the nonlinear medium. The Debye relaxation equations solved numerically to predict the behavior of the cavity for modulated input power. The response of the cavity filled with materials of different response time is depicted. For a material with a response time equal to = 50 ns, the cavity switches after about (100 ns). Notice that there is always a finite time delay before the cavity switches. The switch up time is much longer than the cavity build-up time of the corresponding linear cavity which was found to be of the order of a few round-trip ti

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Publication Date
Sun Jan 04 2026
Journal Name
Journal Of Baghdad College Of Dentistry
The effect of addition of hydroxyapatite microscopic fillers on surface roughness and some mechanical properties of heat cured acrylic resin
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Background: this study aimed to evaluate the effect of addition of hydroxyapatite micro filler in three concentrations (5%, 10%, 15%) on surface roughness, impact strength, flexural strength and hardness. Material and methods: One hundred sixty acrylic samples were used in this study,40 samples were used for each test(impact strength ,flexural strength ,hardness and surface roughness).The test group divided into four subgroups(n=10) for controlgroup,5%,10% ,15%H,A.concentration addition groups .Impact testing device, flexural strength testing device, shore hardness tester and profilometer device were used to measure the four tests examined in this study. Results: the results showed a significant increase in impact strength, hardness in all

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Publication Date
Thu Oct 01 2020
Journal Name
Ieee Transactions On Very Large Scale Integration (vlsi) Systems
Low-Power, Highly Reliable Dynamic Thermal Management by Exploiting Approximate Computing
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With the continuous downscaling of semiconductor processes, the growing power density and thermal issues in multicore processors become more and more challenging, thus reliable dynamic thermal management (DTM) is required to prevent severe challenges in system performance. The accuracy of the thermal profile, delivered to the DTM manager, plays a critical role in the efficiency and reliability of DTM, different sources of noise and variations in deep submicron (DSM) technologies severely affecting the thermal data that can lead to significant degradation of DTM performance. In this article, we propose a novel fault-tolerance scheme exploiting approximate computing to mitigate the DSM effects on DTM efficiency. Approximate computing in hardw

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Publication Date
Mon Jan 01 2024
Journal Name
Bio Web Of Conferences
Dynamic TWGH: Client-Server Optimization for Scalable Combinatorial Test Suite Generation
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To ensure that a software/hardware product is of sufficient quality and functionality, it is essential to conduct thorough testing and evaluations of the numerous individual software components that make up the application. Many different approaches exist for testing software, including combinatorial testing and covering arrays. Because of the difficulty of dealing with difficulties like a two-way combinatorial explosion, this brings up yet another problem: time. Using client-server architectures, this research introduces a parallel implementation of the TWGH algorithm. Many studies have been conducted to demonstrate the efficiency of this technique. The findings of this experiment were used to determine the increase in speed and co

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Publication Date
Thu Sep 13 2018
Journal Name
Baghdad Science Journal
Dynamic Routing Method over Hybrid SDN for Flying Ad Hoc Networks
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Due to the high mobility and dynamic topology of the FANET network, maintaining communication links between UAVs is a challenging task. The topology of these networks is more dynamic than traditional mobile networks, which raises challenges for the routing protocol. The existing routing protocols for these networks partly fail to detect network topology changes. Few methods have recently been proposed to overcome this problem due to the rapid changes of network topology. We try to solve this problem by designing a new dynamic routing method for a group of UAVs using Hybrid SDN technology (SDN and a distributed routing protocol) with a highly dynamic topology. Comparison of the proposed method performance and two other algorithms is simula

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