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 Dec 31 2015
Journal Name
Al-khwarizmi Engineering Journal
The Influence of Design and Technological Parameters on the MAF Process
...Show More Authors

Abstract

 Experimental work from Magnetic Abrasive Finishing (MAF) tests was carried out design parameters (amplitude, and number of cycle which are formed the shape of electromagnetic pole), and technological parameters (current, cutting speed, working gap, and finishing time) all have an influence on the mechanical properties of the surface layer in MAF process. This research has made to study the effect of design and technological parameters on the surface roughness (Ra), micro hardness (Hv) and material removal (MR) in working zone. A set of experimental tests has been planned using response surface methodology according to Taguchi matrix (36) with three levels and six factors

... Show More
View Publication Preview PDF
Publication Date
Fri Jun 18 2004
Journal Name
Iraqi Journal Of Laser
Design and Construction of Semiconductor Laser Range Finder for Target Designation
...Show More Authors

The aim of this research is to design and construct a semiconductor laser range finder
operating in the near infrared range for ranging and designation. The main part of the range finder is the
transmitter which is a semiconductor laser type GaAs of 0.904 mm wavelength with a beam expander,
and the receiver with its collecting optics. The characteristics of transmitter pulse width were 200ns and
threshold current 10 Amp. and maximum operating current 38 Amp. The repetition rate was set at 660 Hz
and maximum output power about 1 watt. The divergence of the beam was 0.268o. A special computer
code was used for optimum optical design and laser spot size analysis and for calculation of atmosphere
attenuation.

View Publication Preview PDF
Publication Date
Wed Mar 30 2011
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
REUSE OF DOMESTIC WASTEWATER FOR IRRIGATION: CONCEPTUAL AND BASIC DESIGN ELEMENTS
...Show More Authors

In Iraq, water shortages and drought, especially during the hot summer months, necessitates that municipal authorities adopt water reuse projects like reusing treated domestic wastewater for crop irrigation. This work gives the conceptual and basic design elements for the necessary steps of filtration, UV irradiation and chlorination to make such a wastewater fit for agricultural use. A typical rural community of 50,000 people is considered as an example case for which functionality and relative simplicity of the proposed designs are prime factors. The objectives are 1) to show what is required and 2) that the presented information may be utilized to embark on the following phases of detailed design and execution of such projects.

View Publication Preview PDF
Publication Date
Fri Feb 03 2023
Journal Name
Buildings
Flexural Performance of a Novel Steel Cold-Formed Beam–PSSDB Slab Composite System Filled with Concrete Material
...Show More Authors

In this study, the flexural performance of a new composite beam–slab system filled with concrete material was investigated, where this system was mainly prepared from lightweight cold-formed steel sections of a beam and a deck slab for carrying heavy floor loads as another concept of a conventional composite system with a lower cost impact. For this purpose, seven samples of a profile steel sheet–dry board deck slab (PSSDB/PDS) carried by a steel cold-formed C-purlins beam (CB) were prepared and named “composite CBPDS specimen”, which were tested under a static bending load. Specifically, the effects of the profile steel sheet (PSS) direction (parallel or perpendicular to the span of the specimen) using different C-purlins c

... Show More
View Publication
Scopus (7)
Crossref (6)
Scopus Clarivate Crossref
Publication Date
Thu Dec 31 2015
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Prediction of Shear Wave velocity for carbonate rocks
...Show More Authors

In many oil fields only the BHC logs (borehole compensated sonic tool) are available to provide interval transit time (Δtp), the reciprocal of compressional wave velocity VP.

   To calculate the rock elastic or inelastic properties, to detect gas-bearing formations, the shear wave velocity VS is needed. Also VS is useful in fluid identification and matrix mineral identification.

   Because of the lack of wells with shear wave velocity data, so many empirical models have been developed to predict the shear wave velocity from compressional wave velocity. Some are mathematical models others used the multiple regression method and neural network technique.

   In this study a number of em

... Show More
View Publication Preview PDF
Publication Date
Mon Mar 23 2020
Journal Name
Journal Of Engineering
prediction Capacity of Euphrates River at Assamawa City
...Show More Authors

The reduction in the rivers capacity is one the most important issue to give the decision maker an idea during the flood season. The study area included the rivers of the Al Atshan, Al Sabeel and Euphrates, which are surveyed with a length of 21, 5 and 20 km respectively. The Euphrates , the Atshan and Al Sabeel rivers were simulated by using HEC-RAS 5.0.3 software to study the real condition within the city of Assamawa. As well as the simulation was implemented by modifying the cross sections of the Euphrates and Al Sabeel rivers to increase their capacity to 1300 and 1200 m3/s respectively which are a flood discharges100 year return periods. The results showed that the maximum discharge capacity under real conditions o

... Show More
View Publication Preview PDF
Crossref (4)
Crossref
Publication Date
Sun Feb 03 2019
Journal Name
Journal Of The College Of Education For Women
Improvement of the surface hardness and wear resistant of low carbon steel using laser radiation
...Show More Authors

0

View Publication Preview PDF
Publication Date
Sun Feb 03 2019
Journal Name
Journal Of The College Of Education For Women
Anti-Social behavior and its relationship to the need to love at Baghdad University students
...Show More Authors

1. Anti-social behavior Baghdad University students.
2. Know the differences in anti's social behavior according to gender, specialization.
3. Know-the need for love at Bagdad University students.
4. Know the relationship between anti-social behavior and the need to love.
The research sample consisted of (100) students, the researcher numbers tools to measure anti behavior and the need to love.
The results showed that college students have an anti-social behavior is weak and they need to love and there is no correlation between them Function relationship. Researcher has shown a number of recommendations and proposals.

View Publication Preview PDF
Publication Date
Fri Jul 19 2024
Journal Name
Baghdad Science Journal
Synthesis, Characterization, and Thermal Studying of VO(II), Cu(II), Zn (II), Cd(II), and Au (III) Complexes with Azo Dye and Evaluation as Antioxidants
...Show More Authors

حضرت معقدات كل من الفنادايل, الخارصين, النحاس والكادميوم بتكافؤهم الثنائي والذهب بتكافؤه الثلاثي بأستخدام صبغة ازوجديدة (6،4،2-ثلاثي هيدروكسي-3-((3-هيدروكسي فنيل) ثنائي زينيل ) فنيل ) ايثان-1-اون المحضرة من ملح الديازونيوم مع ٦,٤,٢- ثلاثي هيدروكسي اسيتوفينون بعد عزل (E)-1-(2,4,6-trihydroxy-3-((3-hydroxyphenyl)diazenyl)phenyl)ethan-1-one تم تشخيصها بواسطة الطرق الطيفية المتاحة  والتقنيات التشخيصية لكل من التحليل الدقيق للعناصرواطياف كل من ال

... Show More
View Publication
Scopus Clarivate Crossref
Publication Date
Sun Mar 15 2020
Journal Name
Al-academy
Innovative Thinking and its Representations in Interior Space Design: علاء الدين كاظم منصور الإمام
...Show More Authors

        The current research studies the innovative thinking system in the field of the interior design, and the extent of the possibility of activating its work mechanisms as a strategy for the redesigning principle according the variables of the contemporary social thinking. The research aims at revealing the nature of the thinking criteria and requirements that provide strategic values that guide the interior designer and the architect to organize the mechanism the act of designing. It also contributes in dealing with the design product through activating its ability in innovation and redesigning.

       The research consists of the concept of innovation, the&nbs

... Show More
View Publication Preview PDF
Crossref