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
Wed Nov 07 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Early detection of first degree relatives to type-II diabetes mellitus
...Show More Authors

Objective(s): The study aims to assess the early detection of early detection of first degree relatives to type-II
diabetes mellitus throughout the diagnostic tests of Glycated Hemoglobin A1C. (HgbA1C), Oral Glucose Tolerance
Test (OGTT) and to find out the relationship between demographic data and early detection of first degree
relatives to type-II diabetes mellitus.
Methodology: A purposive "non-probability" sample of (200) subjects first degree relatives to type-II diabetes
mellitus was selected from National Center for Diabetes Mellitus/Al-Mustansria University and Specialist Center
for Diabetes Mellitus and Endocrine Diseases/Al-kindy. These related persons have presented the age of (40-70)
years old. A questio

... Show More
View Publication Preview PDF
Publication Date
Tue Jul 01 2008
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
A NEW SPECIES OF COSMINA ROB.-DESVOIDY, 1830 IRAQ (DIPTERA : CALLIPHORIDAE)
...Show More Authors

This study includes a detailed morphological description of Cosmina baghdadensis sp. nov.
from Iraq.
Many characters are used in identification especially chaetotaxy and male genetalia.
Locality, host plant, and data of collection were given.

View Publication Preview PDF
Publication Date
Fri Apr 01 2016
Journal Name
Journal Of Engineering
Absorber Diameter Effect on the Thermal Performance of Solar Steam Generator
...Show More Authors

In this work, a convex lens concentrating solar collector is designed and manufactured locally by using 10 convex lenses (concentrator) of a diameter 10cm and one Copper absorber tube of a diameter 12.5mm and 1mm in thickness 1m length. Two axes manual Tracking system also constructed to track the sun continuously in two directions. The experiments are made on 17th of May 2015 in climatic conditions of Baghdad. The experimental data are fed to a computer program to solve the thermal performing equation, to find efficiency and actual useful energy. Then this data is used in numerical CFD software for three different absorber diameters (12.5 mm, 18.75 mm and 25 mm). From the results that obtained the maximum the

... Show More
View Publication Preview PDF
Publication Date
Mon Dec 17 2018
Journal Name
Iop Conference Series: Materials Science And Engineering
Differentiation of CD34+ Human Hair Follicle Stem Cells into Functional Melanocytes
...Show More Authors

View Publication
Scopus (3)
Scopus Clarivate Crossref
Publication Date
Mon Jun 01 2020
Journal Name
Journal Of Engineering
Evaluating Asphalt Concrete Properties by the Implementation of Ultrasonic Pulse Velocity
...Show More Authors

 

In past years, structural pavement solution has been combined with destructive testing; these destructive methods are being replaced by non-destructive testing methods (NDT). Because the destructive test causes damage due to coring conducted for testing and also the difficulty of adequately repairing the core position in the field. Ultrasonic pulse velocity was used to evaluate the strength and volumetric properties of asphalt concrete, of binder course. The impact of moisture damage and testing temperature on pulse velocity has also been studied. Data were analyzed and modeled. It was found that using non-destructive testing represented by pulse velocity could be useful to predict the quality of asphalt c

... Show More
View Publication Preview PDF
Crossref (4)
Crossref
Publication Date
Fri Apr 01 2011
Journal Name
Journal Of Engineering
REMOVAL OF PHOSPHORUS FROM WASTEWATER BY ADSORPTION ONTO NATURAL IRAQI MATERIALS
...Show More Authors

This study focused on treating wastewater to remove phosphorus by adsorption onto naturaland local materials. Burned kaolin, porcelinite, bauxite and limestone were selected to be testedas adsorption materials.The adsorption isotherms were evaluated by batch experiments, studyingthe effects of pH, temperature and initial phosphorus concentration. The results showed that at pH6, temperature 20°C and 300 mg/l initial phosphorus concentration; the sorption capacity was0.61, 9, 10 and 13 mg/g at 10 h contact time, for burned kaolin, porcelanite, limestone and bauxiterespectively. As the pH increased from 2 to 10 the removal efficiency for the materials differs inbehaviour. The removal efficiency increased from 40 to 90 % for limestone, and dec

... Show More
Crossref (3)
Crossref
Publication Date
Tue Feb 12 2019
Journal Name
Iraqi Journal Of Laser
Enhanced Relative Humidity Sensor via Diameter of No-Core Fiber Structure
...Show More Authors

Single mode-no core-single mode fiber structure with a section of tuned no-core fiber diameter to sense changes in relative humidity has been experimentally demonstrated. The sensor performance with tuned NCF diameter was investigated to maximize the evanescent fields. Different tuned diameters of of (100, 80, and 60)μm were obtained by chemical etching process based on hydrofluoric acid immersion. The highest wavelength sensitivity was obtained 184.57 pm/RH% in the RH range of 30% –100% when the no-core fiber diameter diameter was 60 μm and the sensor response was in real-time measurements

View Publication Preview PDF
Publication Date
Thu Nov 21 2019
Journal Name
Journal Of Engineering
Adsorption of Congo Red Dye from Aqueous Solutions by Wheat husk
...Show More Authors

The Wheat husk is one of the common wastes abundantly available in the Middle East countries especially in Iraq. The present study aimed to evaluate the Wheat husk as low cost material, eco-friendly adsorbents for the removal of the carcinogenic dye (Congo red dye) from wastewater by investigate the effect of, at different conditions such as, pH(3-10), amount of adsorbents (1-2.3gm/L),and particle size (125-1000) μm, initial Congo red dye concentration(10, 25 , 50 and 75mg/l)  by batch experiments. The results showed that the removal percentage of dye increased with increasing adsorbent dosage, and decreasing particle size. The maximum removal and uptake reached (91%) , 21.5mg/g, respectively for 25 initial concent

... Show More
View Publication Preview PDF
Crossref (4)
Crossref
Publication Date
Thu Sep 30 2004
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
The Manufacture of Lead Acid Battery Separators using Locally Produced Polyethylene
...Show More Authors

View Publication Preview PDF
Publication Date
Fri May 03 2024
Journal Name
Journal Of Optics
Transmission Of 10 Gb/s For Underwater Optical Wireless Communication System
...Show More Authors

View Publication
Scopus (12)
Crossref (10)
Scopus Clarivate Crossref