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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
Mon Dec 18 2017
Journal Name
Al-khwarizmi Engineering Journal
Cam Dynamic Synthesis
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The paper presents an original method to make the geometric synthesis of the rotary cam and translated tappet with roll. Classical method uses to the geometric synthesis and the reduced tappet velocity, and in this mode the geometric classic method become a geometric and kinematic synthesis method. The new geometric synthesis method uses just the geometric parameters (without velocities), but one utilizes and a condition to realize at the tapped the velocities predicted by the tapped movement laws imposed by the cam profile. Then, it makes the dynamic analyze for the imposed cam profile, and one modify the cam profile geometric parameters to determine a good dynamic response (functionality). In this mode it realizes the dynamic synthesis

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Publication Date
Wed Aug 30 2023
Journal Name
Mathematical Modelling Of Engineering Problems
Dynamic Low Power Clustering Strategy in MWSN
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Publication Date
Tue Aug 01 2017
Journal Name
Iosr Journal Of Dental And Medical Sciences (iosr-jdms)
Is deferasirox As Effective As Desferrioxamine in Treatment of Iron Overload In Patients With Thalassemia Major?
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Publication Date
Sun Mar 02 2008
Journal Name
Baghdad Science Journal
Design and construction of Video extractor
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Design and construction of video extractor circuit require an understanding of several parameters, which include: Selector circuit, extracting circuit which contains sampling signal and multiplexing. At each radar pulse, the video signal is fed to one of the selector. The fast filter has a pass –band from 190 Hz to 1800 Hz. These frequencies correspond to targets having radial velocities laying between and 10 Kph and 200 Kph.Slow filter: 60 Hz to 230 Hz for radial velocities laying between 3.5 and 13 Kph.The video- extractor is organized in four PCB CG (A-B-C-D) each one having 16 selector. The sampling signal (ADS) (1-2-3-4) control the 4-line-to-16-line decoders. 8 multiplexers of 8 inputs each, are required for the multiplexing of the

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Publication Date
Fri Jan 01 2021
Journal Name
Bionatura
STUDY THE TIGRIS RIVER IN SOUTH OF BAGHDAD CITY AND MAY USE IT AS IRRIGATION WATER
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Publication Date
Tue Mar 15 2022
Journal Name
Al-academy
Bionic and its reflections in the design of industrial products
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The current research dealt with the development of sciences and arts over the course of human history, and the development of sciences with their natural and human trends are important areas in developing the knowledge and application base for industrial product design and design in its various fields. Bionic science is one of the sciences that works on applying biological methods and systems found in nature to study and design engineering systems and modern technology, and for industrial products to be highly efficient, durable and resistant to natural variables in daily life for use. The transfer of technology between life forms and industrial products is desirable because the processes of development at the level of science in general

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Publication Date
Wed Mar 15 2023
Journal Name
Al-academy
Visual Appeal and Reflection in the Design of the Advertising
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Advertising is an important and influential tool in various commercial operations, as it represents a means of communication that depends on influencing individuals or society as a whole, working on a link between the producer and the consumer, so the importance of advertising appears in two dimensions, the first is economic represented in its role in achieving economic growth for the facility, while the social dimension lies in its role By influencing the behaviors and ideas of individuals, and from here it appears to us the importance of formulating, organizing and designing the advertising message that advertising agencies resort to in their advertising campaigns. Orientation, definition, and raising the level of the advertising messa

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Publication Date
Sun Feb 10 2019
Journal Name
Journal Of The College Of Education For Women
The Role of Design And Decoration in Enriching Children’s Clothes
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As the child is growing up, he goes through different phases which will be accompanied by physical and psychological changes. These changes set the basis for processes of designing and making children's clothes which in turn give its required benefits and meet the physiological, psychological and community needs. That will help provide the child with healthy physical and psychological growth.
The aim of this research is to recognize the decoration of clothes by colors and drawings and its role in clothes' richness and children's education. The research limits are objective, The limits are for female (3-5) years old. The research was done in teaching kindergarten in the college of education for women in 2016. The researchers found many

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Publication Date
Thu Dec 01 2022
Journal Name
Tropical Journal Of Natural Product Research
Alterations in Biochemical Parameters and Antioxidant Enzymes in Male Mice as Biomarkers of Exposure to Pollution with Cadmium
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There is currently a significantly larger concentration of toxins in our environment than there was in the past. This is mostly attributable to the expansion of modern industry. This investigation was conducted in order to investigate various haematological and biochemical changes in order to determine the effects of Cd on the liver and kidney. Because of its long biological half-life, it is considered hazardous to human health. The effect of sub-lethal doses (40, 80 and 120 mg\Kg) of Cadmium (Cd) on male mice were evaluated for 4 weeks, and analysis was done to estimate their biochemical parameters and antioxidant enzymes. The results showed that Cd-treated mice had considerably lower packed cell volume, red blood cells, and haemoglobin. W

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Scopus
Publication Date
Thu Nov 01 2012
Journal Name
Journal Of Cosmetics, Dermatological Sciences And Applications
Direct melanocytes transplant from normal donor area into vitiliginous recipient area by dermabrasion technique
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KE Sharquie, AA Noaimi, HA Al-Mudaris, Journal of Cosmetics, Dermatological Sciences and Applications, 2012 - Cited by 6

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