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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 Oct 01 2011
Journal Name
Journal Of Engineering
Production of Biodiesel Fuel from Used vegetable Oil
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Used vegetable oil was introduced to transesterfication reaction to produce Biodiesel fuel suitable for diesel engines. Method of production was consisted of filtration, transesterfication, separation and washing. Transesterfication was studied extensively with different operating conditions, temperature range (35-80oC), catalyst concentration (0.5-2 wt. % based on oil), mixing time (30-120 min.) with constant oil/methanol weight ratio 5:1 and mixing speed 1300 rpm. The concentration of Fatty acid methyl esters (Biodiesel) was determined for the transesterficated oil samples, besides of some important physical properties such as specific gravity, viscosity, pour point and flash point. The behavior of methyl esters production and the phys

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Publication Date
Tue Sep 30 2014
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Treatment of Slack Wax by Thermal Cracking Process
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This work deals with thermal cracking of slack wax produced as a byproduct from solvent dewaxing process of medium lubricating oil fraction in AL-Dura refinery. The thermal cracking process was carried out at a temperature ranges 480-540 ºC and atmospheric pressure. The liquid hourly space velocity (LHSV) for thermal cracking was varied between 1.0-2.5 . It was found that the conversion increased (61 - 83) with the increasing of reaction temperature (480 - 540) and decreased (83 - 63) with the increasing of liquid hourly space velocity (1.0 - 2.5).
The maximum gasoline yield obtained by thermal cracking process (48.52 wt. % of feed) was obtained at 500 ºC and liquid hour space velocity 1 . The obtaining liquid product at the best op

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Publication Date
Mon Jul 31 2017
Journal Name
Journal Of Engineering
Production of Biofuels from Selected Cellulosic Waste materials
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Publication Date
Fri Dec 31 2021
Journal Name
Political Sciences Journal
The Impact of Political Thought on Human Rights
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 Receipt date:11/19/2020 acceptance date:10/1/2021 Publishing date:12/31/2021

   Creative Commons License This work is licensed under a Creative Commons Attribution 4.0 International License.

Human rights are one of the basic concepts of modern and contemporary times, and political thought as the origin of political science and its source of knowledge have impact  in this science and its branches

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Publication Date
Sun Jun 01 2008
Journal Name
Journal Of The College Of Languages (jcl)
The Iraqi Learners' Production Of rp Clipped Vowel
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Within connected speech, RP speakers tend to shorten stressed long vowels end diphthongs in pre. Forties consonants in the same syllable on the basis of complementary Distribution, i.e., the phonological environment decides the influence of the forties plosives and fricatives, as far as they are in find position preceded by stressed long vowels and diphthongs, or particular voiced consonants plus vowels. The Iraqi learners, then, face.

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Publication Date
Mon Mar 01 2010
Journal Name
Journal Of Economics And Administrative Sciences
Two side properties of EWMA control panels unilaterally
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This study, establishes two stochastic monotonicity results concerning the run length of an upper one –sided Exponentially Weighted Moving Average (EWMA) control charts, based on the logarithm of the sample variance, for monitoring a process standard deviation, these properties cast interesting light on the control chart performance, and their extension to other one –sided EWMA control charts.

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Publication Date
Mon May 01 2017
Journal Name
Applied Mathematics And Computation
Reconstruction of time-dependent coefficients from heat moments
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Publication Date
Wed Dec 03 2014
Journal Name
Ibn Al-haitham J.for Pure &appl.sci
Spectrophotometric Determination of Chlorpromazine – HCl Using Potassium Permanganate
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Twosimple, sensitive,accurate, and precise spectrophotometric methods have been developed for the determination of chlorpromazine – HCl in pure form and pharmaceutical formulation. The first method involved treatment of cited drug with a measured excess of permanganate in acid medium and the unreacted oxidant was measured at 525 nm. The second method involves the reaction of the drug with potassium permanganate in the presence of sodium hydroxide to produce a bluish – green colored manganite which is measurable at 610nm. All the experimental variables affecting the development of the manganite ions were investigatedand conditions were optimized. Working linearity ranges were 5-45 µg.mL-1and 1-20 µg.mL-1 by two methods respectively. Th

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Publication Date
Sat Jun 30 2007
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Drag Forces under Longitudinal Interaction of Two Particle
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Direct measurements of drag force on two interacting particles  arranged in the longitudinal direction for particle Reynolds numbers varying from J O to 103 are conducted using a micro-force measurement system. The effect of the interparticle distance and Reynolds number on the drag forces  is examined. An empirical equation is obtained to describe the effect of the interparticle distance (l/d) on the dimensionless drag.

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Publication Date
Thu Oct 01 2020
Journal Name
Journal Of Engineering
Ergodic Capacity for Evaluation of Mobile System Performance
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In this research the performance of 5G mobile system is evaluated through the Ergodic capacity metric. Today, in an­­y wireless communication system, many parameters have a significant role on system performance. Three main parameters are of concern here; the source power, number of antennas, and transmitter-receiver distance. User equipment’s (UEs) with equal and non-equal powers are used to evaluate the system performance in addition to using different antenna techniques to demonstrate the differences between SISO, MIMO, and massive MIMO. Using two mobile stations (MS) with different distances from the base station (BS), resulted in showing how using massive MIMO system will improve the performance than the standar

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