Preferred Language
Articles
/
_BfcjZIBVTCNdQwC_LZh
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
...Show More Authors

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.

Scopus Crossref
View Publication
Publication Date
Thu Sep 01 2022
Journal Name
Journal Of Engineering
Properties of Roller-Compacted Concrete Pavement Containing Different Waste Material Fillers
...Show More Authors

Waste materials might be utilized in various applications, such as sustainable roller compacted concrete pavements (RCCP), to lessen the negative environmental consequences of construction waste. The impacts of utilizing (brick, thermostone, granite, and ceramic) powders on the mechanical characteristics of RCCP are investigated in this study. To achieve this, the waste materials were crushed, grounded, and blended before being utilized as filler in the RCCP. After the mixes were prepared, compressive strength, splitting tensile strength, flexural strength, water absorption, density, and porosity were all determined. According to the research results, adding some of these powders, mainly brick and granite powder, enhances the mechanical

... Show More
View Publication Preview PDF
Crossref (5)
Crossref
Publication Date
Mon Apr 24 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Thermal Degradation Kinetics of Polyamide 6,6 Cable Ties by Thermogravimetric Analysis
...Show More Authors

  The thermal degradation of cable ties of polyamide (PA6,6) neat and UV stabilized was investigated by thermogravimetry (TG) and its derivative (DTG) at several heating rates between 5 and 80 oC min-1  in helium atmosphere. High heating rates signal novel peaks in the DTG curves that indicate melting temperature of PA6,6. The kinetic parameters calculated via isoconversion and nonisothermal data using the Flynn-Wall-Ozawa, Kissinger and CoatsRedfern methods showed comparable activation energy values. Exposure of the ties to outdoor environment causes pre-mature stress cracking and brittle failure due to prevalence of crosslinking reaction occurring in the polymer chains

View Publication Preview PDF
Publication Date
Sat Mar 30 2013
Journal Name
College Of Islamic Sciences
 The choices of Ibn Muqasim (354 AH) from the Qur’anic readings
...Show More Authors

This research examines aspects of Imam Al-Qurtubi's efforts in matters related to the topics of faith that he dealt with in his interpretation (the provisions of the provisions of the Qur’an); and it has been shown that Imam Al-Qurtubi in most of the doctrinal issues dealt with in his interpretation approximates the doctrine of the Sunnis of Ash'aris, Maturids and people of impact. He had responses to some of the teams, such as stereoscopic, karami, and Mu'tazilite, reinforcing the responses with transfer and mental evidence.
    It was found that Imam Al-Qurtubi says that there is an increase in faith and a decrease in it, that the increase is through actions (so obedience increases and decreases in sin) and that the

... Show More
View Publication Preview PDF
Publication Date
Thu Nov 08 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Risk factor of urinary incontinence among menopausal women at Babylon city
...Show More Authors

Purpose: To identify the risk factors of urinary incontinency for menopausal women.
Methodology: A descriptive analytic study was conducted to identify the risk factor for urinary incontinency
and selected non-probability sample (purposive sample) from (200) menopausal women (45-65) who have
urinary incontinence as visitors and caregiver women who attend at Hila surgical teaching hospital during the
period 1/11/2010-30/3/2011. Questionnaire format used for data collection was designed and constructed
after reviewing related literatures and previous studies and consists of the following variables: Demographic
and reproductive characteristics of menopausal women who suffers from urinary incontinence
Results: The study

... Show More
View Publication Preview PDF
Publication Date
Fri Nov 01 2019
Journal Name
International Journal Of Engineering
Structural Behavior of Axially Loaded Composite Concrete-steel Plate Shear Walls
...Show More Authors

Scopus (3)
Crossref (2)
Scopus Clarivate Crossref
Publication Date
Mon Jul 10 2023
Journal Name
Journal Of Engineering
Forward Osmosis Process for the Treatment of Wastewater from Textile Industries
...Show More Authors

This paper was aimed to study the efficiency of forward osmosis (FO) process as a new application for the treatment of wastewater from textile effluent and the factors affecting the performance of forward osmosis process.
The draw solutions used were magnesium chloride (MgCl2), and aluminum sulphate (Al2 ( SO4)3 .18 H2O), and the feed solutions used were reactive red, and disperse blue dyes.
Experimental work were includes operating the forward osmosis process using thin film composite (TFC) membrane as flat sheet for different draw solutions and feed solutions. The operating parameters studied were : draw solutions concentration (10 – 90 g/l), feed solutions concentration (5 – 30 mg/l), draw solutions flow rate (10 – 50 l/hr

... Show More
View Publication Preview PDF
Crossref (2)
Crossref
Publication Date
Wed Jun 15 2022
Journal Name
Malaysian Journal Of Science
INVESTIGATION OF FAST NEURON ATTENUATION COEFFICIENTS FOR SOME IRAQI BUILDING MATERIALS
...Show More Authors

This research aims to improve the radiation shielding properties of polymer-based materials by mixing PVC with locally available building materials. Specifically, two key parameters of fast neutron attenuation (removal cross-section and half-value layer) were studied for composite materials comprising PVC reinforced with common building materials (cement, sand, gypsum and marble) in different proportions (10%, 30% and 50% by weight). To assess their effectiveness as protection against fast neutrons, the macroscopic neutron cross-section was calculated for each composite. Results show that neutron cross-section values are significantly affected by the reinforcement ratios, and that the composite material PVC + 50% gypsum is an effect

... Show More
View Publication
Scopus (2)
Crossref (1)
Scopus Crossref
Publication Date
Fri Nov 29 2019
Journal Name
Iraqi Journal Of Physics
Fabrication of Electroluminescence Device for PEDOT:PSS / ploy TPD/Eu2O3 Nanoparticles junction
...Show More Authors

We manufactured the nanoparticles light emitting diode (NPs-LED) for organic and inorganic semiconductors to achieve electroluminescence (EL). The nanoparticles of Europium oxide(Eu2O3) were incorporated into the thin film layers of the organic compounds, poly(3,4,- ethylene dioxythiophene)/polystyrene sulfonic acid (PEDOT:PSS), N,N’–diphenyl-N,N’ –bis(3-methylphenyl)-1,1’-biphenyl 4,4’- diamine (poly TPD) and polymethyl methacrylate (PMMA), by the spin coating and with the help of the phase segregation method. The EL of NPs-LED, was study for the different bias voltages (20, 25, 30) V at the room temperature, from depending on the CIE 1931 color spaces and it was generated the white light at 20V, t

... Show More
View Publication Preview PDF
Crossref (9)
Crossref
Publication Date
Sat Jan 01 2022
Journal Name
Journal Of Ecological Engineering
Biosynthetic of Titanium Dioxide Nanoparticles Using Zizyphus Spina-Christi Leaves Extract
...Show More Authors

View Publication
Scopus (10)
Crossref (8)
Scopus Clarivate Crossref
Publication Date
Mon Jul 01 2019
Journal Name
Iop Conference Series: Materials Science And Engineering
Calculating heterogeneity of Majnoon Field/Hartha Reservoir using Lorenz Coefficient method
...Show More Authors
Abstract<p>One of the principle concepts to understand any hydrocarbon field is the heterogeneity scale; This becomes particularly challenging in supergiant oil fields with medium to low lateral connectivity and carbonate reservoir rocks.</p><p>The main objectives of this study is to quantify the value of the heterogeneity for any well in question, and propagate it to the full reservoir. This is a quite useful specifically prior to conducting detailed water flooding or full field development studies and work, in order to be prepared for a proper design and exploitation requirements that fit with the level of heterogeneity of this formation.</p><jats></jats> ... Show More
View Publication
Crossref (1)
Scopus Crossref