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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
Fri Jan 01 2021
Journal Name
Cogent Engineering
Content-based image retrieval: A review of recent trends
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Publication Date
Fri Feb 17 2012
Journal Name
Smart Materials And Structures
Frequency tuning of piezoelectric energy harvesters by magnetic force
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Publication Date
Thu Jul 01 1999
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
new species of ground beetles (Coleptera : Carabidae) from Iraq
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Among a collection of ground beetles from Iraq the new species Acinopus euphraticus was designated and described here. The erection of this new species was mainly built on external features and the description of male genitalia.

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Publication Date
Thu Jul 01 2010
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
NOTES ON SOME ARMORED SCALE INSECTS (HEMIPTERA:DIASPIDIDAE) OF IRAQ
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Sixteen species of Armored Scale insects were recorded from Baghdad city during 2001-2005. Three of these are reported here for the first time Abgrallaspis cyanophylli (Signoret, 1869), Aonidiella citrina (Craw,1870) and Chrysomphalus aonidium (Linnaeus,1758). The other thirteen species were recorded earlier Aonidiella aurantii (Maskell), Aonidiella orientalis (Newstead), Chrysomphalus dictyospermi (Morgan), Diaspidiotus ostreaeformis (Curtis), Diaspidiotu perniciosus (Comctock), Hemiberlesia lataniae (Signoret), Lepidosaphes beckii (Newman), Lepidosaphes conchiformis (Gmelin), Lepidosaphes ulmi (Linnaeus), Mercetaspis halli

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Publication Date
Thu Jan 01 2009
Journal Name
Journal Of The College Of Languages (jcl)
The Battles of Al-Taf & Maldon Between History & Literature
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It was Aristotle who first drew attention to the superior quality of literature to the other factual fields of knowledge. Contradicting his predecessor Plato on the issue of „truth,‟ Aristotle believed that „poetry is more philosophical and deserves more serious attention than history: for while poetry concerns itself with universal truths, history considers only particular facts.‟ (1) The critical attention to the disparity between the literary truth and the historical truth grew up throughout ages to flourish in the Renaissance and after with a bunch of distinctive views on this subject. Sir Philip Sidney (1554-1586), for example, found that literature does not offer a literal description of reality but rather a heightened vers

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Publication Date
Thu Apr 25 2019
Journal Name
Engineering And Technology Journal
Improvement of Harris Algorithm Based on Gaussian Scale Space
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Features is the description of the image contents which could be corner, blob or edge. Corners are one of the most important feature to describe image, therefore there are many algorithms to detect corners such as Harris, FAST, SUSAN, etc. Harris is a method for corner detection and it is an efficient and accurate feature detection method. Harris corner detection is rotation invariant but it isn’t scale invariant. This paper presents an efficient harris corner detector invariant to scale, this improvement done by using gaussian function with different scales. The experimental results illustrate that it is very useful to use Gaussian linear equation to deal with harris weakness.

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Publication Date
Thu Aug 13 2020
Journal Name
Journal Of Imaging
On Computational Aspects of Krawtchouk Polynomials for High Orders
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Discrete Krawtchouk polynomials are widely utilized in different fields for their remarkable characteristics, specifically, the localization property. Discrete orthogonal moments are utilized as a feature descriptor for images and video frames in computer vision applications. In this paper, we present a new method for computing discrete Krawtchouk polynomial coefficients swiftly and efficiently. The presented method proposes a new initial value that does not tend to be zero as the polynomial size increases. In addition, a combination of the existing recurrence relations is presented which are in the n- and x-directions. The utilized recurrence relations are developed to reduce the computational cost. The proposed method computes app

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Publication Date
Sun Jan 03 2021
Journal Name
Al-qadisiyah Journal For Engineering Sciences
Bearing Capacity of Square Footing Resting on Layered Soil
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The bearing capacity of layered soil studies was carried out with various approaches such as experimental, theoretical, numerical, and combination of them. This work is focused on the settlement and bearing capacity of shallow foundations subjected to the vertical load placed on the surface of layered soils. The experimental part was performed by manufacturing soil cubic container (570 mm x 570 mm x 570 mm).  A model square footing of width 60 mm was placed at the surface of the soil bed. The relative density of sand was constant at 60%, and the clay was prepared with a density of 19.2 (kN/m3) and water content of 14.6%. PLAXIS 3D FEM was used to simulate the experimental tests and performing a parametric study. The results showed

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Publication Date
Sat Feb 02 2019
Journal Name
Journal Of The College Of Education For Women
The Efficctency of the mesopotamian company for seed production
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Publication Date
Mon Dec 03 2018
Journal Name
Journal Of Engineering
Performance of Different Concatenated Coding Schemes for CDMA System
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In this paper different channel coding and interleaving schemes in DS/CDMA system over multipath fading channel were used. Two types of serially concatenated coding were presented. The first one composed of Reed-Solomon as outer code, convolutional code as inner code and the interleaver between the outer and inner codes and the second consist of convolutional code as outer code, interleaved in the middle and differential code as an inner code. Bit error rate performance of different schemes in multipath fading channel was analyzed and compared. Rack receiver was used in DS/CDMA receiver to combine multipath components in order to enhance the signal to noise ratio at the receiver.

 

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