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.
This study investigates the treatment of used lubricating oils from AL-Mussaib Gas Power Station Company-Iraq, which was treated with different extractive solvents (heptane and 2-propanol). The performance activity of these solvents in the extraction process was examined and evaluated experimentally. Operating parameters were solvent to oil ratios of (1:2, 1:4, 1:6, and 1:8), mixing time (20, 35, 50, and 65 min), temperatures (30, 40, 50, and 60 ºC), and mixing speed (500 rpm). These parameters were studied and analyzed. The quality is determined by the measuring and assessment of important characteristics specially viscosity, viscosity index, specific gravity, pour point, flash point, and ash content. The results confirm that the
... Show MoreFrequently, Load associated mode of failure (rutting and fatigue) as well as, occasionally, moisture damage in some sections poorly drained are the main failure types found in some of the newly constructed road within Baghdad as well as other cities in Iraq. The use of hydrated lime in pavement construction could be one of the possible steps taken in the direction of improving pavement performance and meeting the required standards. In this study, the mechanistic properties of asphalt concrete mixes modified with hydrated lime as a partial replacement of limestone dust mineral filler were evaluated. Seven replacement rates were used; 0,0.5, 1, 1.5, 2, 2.5 and 3 percent by weight of aggregate. Asphalt concrete mixes were prepared at their
... Show MoreMandali Dam is one of the small dams in Iraq; it is located on Haran Wadi, Gangir, just 3km north-east Mandali City. Mandali dam consists of four main parts, the dam body, the intake structure, the spillway, and the bottom outlet. The dam body is zoned earth filled with a central core. The main purposes of the dam are to maintain flow of Wadi Haran, supplying irrigation and drinking water to Mandali City, and recharging the groundwater. Over a period of seven years of operation, the dam lost its ability to store water due to accumulated sediments within its reservoir. The accumulated sediment is about 2.25million m3. The average annual rate of reduction during this period is about 0.321
... Show MoreIn this paper, the behavior of spliced steel girders under static loading is investigated. A group of seven steel I-girders were tested experimentally. Two concentrated loads were applied to each specimen at third points and the load was increased incrementally up to the yield of the specimen. Two types of splices were considered; the bearing type and the friction-grip type splices. For comparison, an analytical study was made for the tested girders in which the finite element analysis program (Abaqus) was used for analysis. It was found that the maximum test load for spliced girders with bearing type splices was in the range of (34%) to (67%) of the maximum test load for the reference girder. For girders spliced by using friction-grip t
... Show MoreThis study investigates the treatment of used lubricating oils from AL-Mussaib Gas Power Station Company-Iraq, which was treated with different extractive solvents (heptane and 2-propanol). The performance activity of these solvents in the extraction process was examined and evaluated experimentally. Operating parameters were solvent to oil ratios of (1:2, 1:4, 1:6, and 1:8), mixing time (20, 35, 50, and 65 min), temperatures (30, 40, 50, and 60 ºC), and mixing speed (500 rpm). These parameters were studied and analyzed. The quality is determined by the measuring and assessment of important characteristics specially viscosity, viscosity index, specific gravity, pour point, flash point, and ash content. The results confirm that the solve
... Show MoreHuman health can be negatively impacted by exposure to loud noise, which can harm the auditory system. Traffic noise is the leading cause of noise pollution. This paper studies the problem of noise pollution on the roads in Baghdad, Iraq. Due to the increase in vehicle numbers and road network modifications in Baghdad, noise levels became a serious topic to be studied. The aim of the paper was thus to study traffic noise levels and the effect of the traffic stream on noise levels and to formulate a prediction model that identified the guidelines used for designing or developing future roads in the city. Then, the noise levels were measured based on five variables: the functional classification of roads, traffic flow, vehicle speed,
... Show MoreElectrocardiogram (ECG) is an important physiological signal for cardiac disease diagnosis. With the increasing use of modern electrocardiogram monitoring devices that generate vast amount of data requiring huge storage capacity. In order to decrease storage costs or make ECG signals suitable and ready for transmission through common communication channels, the ECG data
volume must be reduced. So an effective data compression method is required. This paper presents an efficient technique for the compression of ECG signals. In this technique, different transforms have been used to compress the ECG signals. At first, a 1-D ECG data was segmented and aligned to a 2-D data array, then 2-D mixed transform was implemented to compress the
This paper aims to make a historical review of jet grouting techniques and encountered problems at different sites in several countries. This review is a good guide to understanding the performance and limitations of improved soils or lands. The basic concept of jet grouting technology is to use cement as a binder to accelerate the hardening process of an admixture of material grout and soil. The different case history was conducted in both sand soil and clay soil in the horizontal and vertical direction. Other papers on field construction showed that the grout can be gelled within 5-10 minutes. Due to different cases and studies, these will help improve soil by supporting the foundation load with a minimal settlement.
... Show MoreWellbore instability is a significant problem faced during drilling operations and causes loss of circulation, caving, stuck pipe, and well kick or blowout. These problems take extra time to treat and increase the Nonproductive Time (NPT). This paper aims to review the factors that influence the stability of wellbores and know the methods that have been reached to reduce them. Based on a current survey, the factors that affect the stability of the wellbore are far-field stress, rock mechanical properties, natural fractures, pore pressure, wellbore trajectory, drilling fluid chemicals, mobile formations, naturally over-pressured shale collapse, mud weight, temperature, and time. Also, the most suitable ways to reduce well
... Show MoreMost below-knee prostheses are manufactured in Iraq without considering the fast progress in smart prostheses, which can offer movements in the desired directions according to the type of control system designed for this purpose. The proposed design appears to have the advantages of simplicity, affordability, better load distribution, suitability for subjects with transtibial amputation, and viability in countries with people having low socio-economic status. The designed prosthetics consisted of foot, ball, and socket joints, two stepper motors, a linkage system, and an EMG shield. All these materials were available in the local markets in Iraq. The experimental results showed t
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