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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
Sat Dec 01 2018
Journal Name
Political Sciences Journal
political culture as a tool to analyse Decentralization Experience in
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It sheds light on the cultural dimension in the decentralized administration experience in Iraq as evaluation tool by adding a new dimension in studying decentralization in addition to the administrative, political and legal dimensions .The proposal of study is that without the civil political culture ,the administrative decentralization in Iraq which remains weak and it may be imposed to a set of problems. - The study includes an introduction, conclusion and a set of political and cultural issues , its components and it may have the political analysis of this culture and its role in determining the movement of the administrative decentralized movement in Iraq post 2003.

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Publication Date
Thu Aug 01 1996
Journal Name
Unpublished
Temporomandibular disorders in pretreatment orthodontic patients as related to malocclusion
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Temporomandibular disorders (TMDs) were investigated in 143 pretreatment orthodontic patients (43 males and 102 females) whose age ranged between 10-25 years at the College of Dentistry, University of Baghdad, Iraq. The study was undertaken to elucidate the prevalence and severity of TMDs in malocclusion patients and to defme the relationships between malocclusion and TMDs. The clinical signs and subjective symptoms were recorded according to the principles introduced by Helkimo (1974b). Subjective symptoms were reported by 65.7% of the patients with 22.40/0 described as severe, and the most common symptoms were TMJ sounds and feeling offatigue. Clinical signs were observed in 81.8% of the sample with 22.4 and 6.3% described as moderate and

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Publication Date
Thu Apr 21 2022
Journal Name
Journal Of Petroleum Research And Studies
Smart Well Modelling for As Reservoir in AG Oil Field
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Intelligent or smart completion wells vary from conventional wells. They have downhole flow control devices like Inflow Control Devices (ICD) and Interval Control Valves (ICV) to enhance reservoir management and control, optimizing hydrocarbon output and recovery. However, to explain their adoption and increase their economic return, a high level of justification is necessary. Smart horizontal wells also necessitate optimizing the number of valves, nozzles, and compartment length. A three-dimensional geological model of the As reservoir in AG oil field was used to see the influence of these factors on cumulative oil production and NPV. After creating the dynamic model for the As reservoir using the program Petrel (2017.4), we

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Publication Date
Fri Mar 01 2019
Journal Name
Al-khwarizmi Engineering Journal
Antibacterial Inhibitor as an Expired Metoclopramide in 0.5M Phosphoric Acid
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Expired drug Metoclopramide was investigated as an antibacterial corrosion inhibitor for carbon steel in 0.5M H3PO4 solution using the electrochemical method at 30oC and 60oC. The results showed that this drug is an efficient inhibitor for carbon steel and the efficiency reached to 82.244 % for 175 ppm at 30oC and 76.146% for 225 ppm at 60oC. The adsorption of drug on carbon steel surface follows Langmuir adsorption isotherm with small values of adsorption-desorption constant. The polarization plots revealed that Metoclopramide acts as mixed-type inhibitor. Some parameters of inhibition process were calculated and discussed. The surface morphology of the carbon steel speci

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Publication Date
Tue Jun 01 2021
Journal Name
Gene Reports
Cystatin D as a new diagnostic marker in rheumatoid arthritis
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Publication Date
Tue Jul 25 2023
Journal Name
Journal Of Optical Communications
Design mode filtering interferometer using etched double clad fiber
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Abstract<p>Mode filtering technique is one of the most desired techniques in optical fiber communication systems, especially for multiple input multiple output (MIMO) coherent optical communications that have mode-dependent losses in communication channels. In this work, a special type of optical fiber sensing head was used, where it utilizes DCF13 that is made by Thorlabs and has two numerical apertures (NA’s). One is for core and 1st cladding region, while the 2nd relates the 1st cladding to the 2nd cladding. Etching process using 40 % hydro-fluoric (HF) acid was performed on the DCF13 with variable time in minutes. Investigation of the correlation between the degree of etching and the re</p> ... Show More
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Publication Date
Mon Dec 03 2018
Journal Name
Journal Of Engineering
Variable Structure Control Design for a Magnetic Levitation System
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In this paper the variable structure control theory is utilized to derive a discontinuous controller to the magnetic levitation system. The magnetic levitation system model is considered uncertain, which subjected to the uncertainty in system parameters, also it is open-loop unstable and strongly nonlinear. The proposed variable structure control to magnetic levitation system is proved, and the area of attraction is determined. Additionally, the chattering, which induced due to the discontinuity in control law, is attenuated by using a non-smooth approximate. With this approximation the resulted controller is a continuous variable structure controller with a determined steady state error according to the selected control

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Publication Date
Sun Nov 26 2017
Journal Name
Journal Of Engineering
Cathodic Protection Design Algorithms for Refineries Aboveground Storage Tanks
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Storage tanks condition and integrity is maintained by joint application of coating and cathodic protection. Iraq southern region rich in oil and petroleum product refineries need and use plenty of aboveground storage tanks. Iraq went through conflicts over the past thirty five years resulting in holding the oil industry infrastructure behind regarding maintenance and modernization. The primary concern in this work is the design and implementation of cathodic protection systems for the aboveground storage tanks farm in the oil industry.

Storage tank external base area and tank internal surface area are to be protected against corrosion using impressed current and sacrificial anode cathodic protection systems. Int

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Publication Date
Sun Jun 01 2014
Journal Name
Journal Of Economics And Administrative Sciences
Design Sampling Plan when Life Time Follows Logistic Distribution
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Design sampling plan was and still one of most importance subjects because it give lowest cost  comparing with others, time live statistical distribution should be known to give best estimators for  parameters of sampling plan and get best sampling plan.

Research dell with design sampling plan when live time distribution follow Logistic distribution with () as location and shape parameters, using these information can help us getting (number of groups, sample size) associated with reject or accept the Lot

Experimental results for simulated data shows the least number of groups and sample size needs to reject or accept the Lot with certain probability of

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Publication Date
Wed Nov 20 2019
Journal Name
Proceedings Of The 2019 3rd International Conference On Big Data Research
Pressure Vessel Design Simulation Using Hybrid Harmony Search Algorithm
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