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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
Wed Feb 01 2023
Journal Name
Baghdad Science Journal
Revision of some Biomarkers with Cytokines in Breast Cancer
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Breast cancer is the most repeatedly detected cancer category and the second reason cause of cancer-linked deaths among women worldwide. Tumor bio-indictor is a term utilized to describe possible indicators for carcinoma diagnosis, development and progression. The goal of this study is to evaluate part of some cytokines and biomarkers for both serum and saliva samples in breast cancer then estimate their potential value in the early diagnosis of breast cancer by doing more researches in saliva, and utilizing saliva instead of blood (serum and plasma) in sample collection from patients. Serum and salivary samples were taken from 72 patients with breast cancer and 45 healthy controls, in order to investigate the following

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Publication Date
Fri Jan 01 2021
Journal Name
Aip Conference Proceedings
Integration between hydrochemical and physical data with geographic information systems (GIS) for selecting the best locations groundwater wells in Baghdad city
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Publication Date
Tue Dec 08 2020
Journal Name
Separation Science And Technology
Adsorption kinetics and mechanisms for meropenem antibiotic removal in batch mode via rice husk functionalized with Mg/Fe-layered double hydroxides
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The purpose of this research was to evaluate rice husk functionalized with Mg-Fe-layered double hydroxide (RH-Mg/Fe-LDH) as an adsorbent for the removal of meropenem antibiotic (MA) from an aqueous solution. Several batch experiments were undertaken using various conditions. Based on the results, the optimal Mg/Fe-LDH adsorbent with a pH of 9 and an M2+/M3+ ratio of 0.5 was associated with the lowest particle size (specifically. 11.1 nm). The Langmuir and Freundlich models were consistent with the experimental isotherm data (R2 was 0.984 and 0.993, respectively), and MA’s highest equilibrium adsorption capacity was 43.3 mg/g. Additionally, the second-order model was consistent with the adsorption kinetic results.

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Publication Date
Sat Jan 31 2026
Journal Name
International Journal Of Intelligent Engineering And Systems
Low-complexity Deep Learning for Joint Channel-type Identification and SNR Estimation in MIMO-OFDM Using CNN–BRNN with LUT Labels
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Channel estimation (CE) is essential for wireless links but becomes progressively onerous as Fifth Generation (5G) Multi-Input Multi-Output (MIMO) systems and extensive fading expand the search space and increase latency. This study redefines CE support as the process of learning to deduce channel type and signal-tonoise ratio (SNR) directly from per-tone Orthogonal Frequency-Division Multiplexing (OFDM) observations,with blind channel state information (CSI). We trained a dual deep model that combined Convolutional Neural Networks (CNNs) with Bidirectional Recurrent Neural Networks (BRNNs). We used a lookup table (LUT) label for channel type (class indices instead of per-tap values) and ordinal supervision for SNR (0–20 dB,5-dB steps). T

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Publication Date
Tue Dec 11 2018
Journal Name
Baghdad Science Journal
Study of Cytotoxic Effect of Aqueous Extract Fenugreek(Trigonella Foenum Graecum L.S) Seeds and The New Complexes of Rh (?) and Pd (?) on Cancer Cell Lines
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The effect of the aqueous extract of fenugreek seeds (Trigonella Foenum Graecum L.), Rhodium complex (?) with formula [RhL2CLH2O].1 1/2 ETOH and palladium (?) [pdl2].2ETOH,where L=2-hydroxy phenyl piperonalidine was studied on two cancer cell lines. The first cell line was intestine cancer of female albino mice (L20B), the second one was Rhabdomysarcomas (RD)cell line in human. The activity of the new complexes and the aqueous extract was compared to the well-known anticancer drug (cis-platin) by utilizing the in vitro system. The cell lines were treated with four concentrations of cis-platin 31.25,62.5,125 and 250 ?g/ml for 72 hour exposure time. The same concentrations were used with extract and the new complexes. This study showed that t

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Publication Date
Wed Feb 25 2026
Journal Name
Adab Al Rafidayn
The State of the Practical Application by Students at Department of Information and Technology and Libraries/ Institute of Administration-Al-Rusafa: A Developmental Evaluative Study
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Practical application is an effective tool for preparing qualified scientific and technical cadres if applied correctly and efficiently. In addition to being the complementary part of everything that has been studied in the years of study, it is a scientific linking tool between theory and application. Here lies the importance of this research in clarifying the central and important role that practical application plays in general in raising the scientific level of the student, and the extent of the suitability of the curriculum and means of practical application and the extent and needs of the students applying at the Institute of Administration - Rusafa - Department of Information Technology and Libraries. This research attempted to answe

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Publication Date
Sat Jul 19 2025
Journal Name
Annals Of Applied Sport Science
A Comparative Study of the Average Motor Response Time for the Arms and Legs of Handball, Basketball, and Volleyball Players Aged 14-16 Years
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Background. The motor response is a fundamental ability that is evident during any physical or motor activity. However, the need for this ability varies from one sport to another and depends on the specific skills required in each sport. Objectives. This study aims to compare the average motor reaction times of the arm and leg among handball, basketball, and volleyball players aged 14 to 16 years. Methods. The sample included 30 players aged 14-16 years from the sports talent care center, evenly distributed on handball, basketball, and volleyball. Standardized tests were used to measure the speed of motor response, including the Batak Micro test for hands, which records the number of responses to light stimuli in 30 seconds, and the Saqer t

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Publication Date
Wed Dec 01 2010
Journal Name
Iraqi Journal Of Physics
Study of electron energy distribution function and transport parameters for CF4 and Ar gases discharge by using the solution of Boltzmann equation-Part I
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The Boltzmann transport equation is solved by using two- terms approximation for pure gases . This method of solution is used to calculate the electron energy distribution function and electric transport parameters were evaluated in the range of E/N varying from . 172152110./510.VcmENVcm
From the results we can conclude that the electron energy distribution function of CF4 gas is nearly Maxwellian at (1,2)Td, and when E/N increase the distribution function is non Maxwellian. Behavior of electrons transport parameters is nearly from the experimental results in references. The drift velocity of electron in carbon tetraflouride is large compared with other gases

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Publication Date
Sun Dec 04 2011
Journal Name
Baghdad Science Journal
Use of cefoxitin as indicator for detection of Methicillin Resistant Staphylococcus aureus
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Rapid and accurate identification of Methicillin Resistant Staphylococcus aureus is essential in limiting the spread of this bacterium. The aim of study is the detection of Methicillin Resistant Staphylococcus aureus (MRSA) and determining their susceptibility to some antimicrobial agent. A total of fifty clinical Staphylococcus aureus, isolated from the nose of health work staff in surgery unit of Kalar general hospital and from ear of patients attended to the same hospital. The susceptibilities of isolates were determined by the disc diffusion method with oxacillin (1 ?g) and cefoxitin (30 ?g), and by the mannitol salt agar supplemented with cefoxitin (MSA-CFOX), susceptibilities of isolates to other antimicrobial agent were determined b

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Publication Date
Thu Mar 30 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Preparation of a New Dosage Form of Metoclopramide Hydrochloride as Orodispersible Tablet
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Metoclopramide HCl (MTB) is a potent antiemetic drug used for the treatment of nausea and vomiting. Many trials were made to prepare a satisfactory MTB orodispersible tablet using direct compression method.Various super disintegrants were used in this study which are croscarmellose sodium (CCS), sodium starch glycolate (SSG) and crospovidone (CP). The latter was the best in terms of showing the fastest disintegration time in the mouth.Among the different diluents utilized, it was found that a combination of microcrystalline cellulose PH101 (MCC 101), mannitol, dicalcium phosphate dihydrate (DPD) and Glycine was the best in preparing MTB orodispersible tablet with fastest disintegration time in the mouth.The physical parameters of the pre

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