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
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
Publication Date
Mon Jan 01 2024
Journal Name
Recent Research On Geotechnical Engineering, Remote Sensing, Geophysics And Earthquake Seismology
Evaluating the Accuracy of iPhone Lidar Sensor for Building Façades Conservation
...Show More Authors

View Publication
Scopus (5)
Crossref (5)
Scopus Crossref
Publication Date
Sat Jun 01 2024
Journal Name
Baghdad Science Journal
Extraction of Caffeine from Spent Coffee Ground by Solid-liquid Extraction
...Show More Authors

يهدف البحث الحالي إلى الاستفادة من القهوة المستهلكة , كمادة وسيطة حيث تعد القهوة المستهلكة من المخلفات المضرة للبيئة الاستخراج الكافيين الطبيعي والذي يعد مادة ذات نشاط حيوي واهمية, وتحديد العوامل الفعالة في كفاءة عملية الاستخلاص من حيث تركيز الكافيين. تضمنت المتغيرات الرئيسية المدروسة وقت الاستخلاص  0-150 دقيقة  ، ودرجة الحرارة  25-55 درجة مئوية  ، وسرعة الخلط  180-450 دورة في الدقيقة  ،   ودرجة الحموضة العالق

... Show More
View Publication
Scopus (5)
Crossref (1)
Scopus Clarivate Crossref
Publication Date
Wed Jan 01 2020
Journal Name
Ieee Access
Nondestructive Evaluation of Coatings Delamination Using Microwave Time Domain Reflectometry Technique
...Show More Authors

View Publication
Scopus (26)
Crossref (26)
Scopus Clarivate Crossref
Publication Date
Tue Sep 01 2020
Journal Name
Journal Of Engineering
Stabilization of Al-Rustamiya Waste Water Treatment Plant Sludge Using Lime
...Show More Authors

A study was performed to evaluate heavy metals removal from sewage sludge using lime. The processes of stabilization using alkaline chemicals operating on a simple principle of raising pH to 12 or higher, with sufficient mixing and suitable contact time to ensure that immobilization can reduce heavy metals. A 0.157 m3 tank was designed to treat Al-Rustemeyia wastewater treatment plant sludge. Characteristics of raw sludge were examined through two parameters: pH and heavy metal analysis. Different lime doses of (0- 25) g CaO/100 g sludge were mixed manually with raw sludge in a rotating drum. The samples were analyzed two hours after mixing. pH and heavy metals results were compared with EPA and National Iraqi Stand

... Show More
View Publication Preview PDF
Crossref (3)
Crossref
Publication Date
Wed Jul 01 2020
Journal Name
Ieee Transactions On Industrial Electronics
Finite-Time Continuous Terminal Sliding Mode Control of Servo Motor Systems
...Show More Authors

In this article, a continuous terminal sliding mode control algorithm is proposed for servo motor systems. A novel full-order terminal sliding mode surface is proposed based on the bilimit homogeneous property, such that the sliding motion is finite-time stable independent of the system’s initial condition. A new continuous terminal sliding mode control algorithm is proposed to guarantee that the system states reach the sliding surface in finitetime. Not only the robustness is guaranteed by the proposed controller but also the continuity makes the control algorithm more suitable for the servo mechanical systems. Finally, a numerical example is presented to depict the advantages of the proposed control algorithm. An application in the rota

... Show More
View Publication
Scopus (224)
Crossref (200)
Scopus Clarivate Crossref
Publication Date
Thu Dec 04 2025
Journal Name
Journal Of Nature And Science Of Medicine
Impact of Patients’ Education upon Reducing Psychological Distress during Diabetic Journey
...Show More Authors
Abstract<sec> <title>Background and Objectives:

Diabetes distress (DD), an emotional burden that does not meet the diagnostic criteria for major depressive disorder, has gained attention in the diabetes literature. It was to evaluate the impact of diabetes education among psychological distress in type 2 diabetes patients.

Materials and Methods:

A cross-sectional study was conducted between November 1, 2024, and March 1, 2025, at the Endocrine and diabetes center in Baghdad City, Iraq, tar

... Show More
View Publication
Scopus Crossref
Publication Date
Wed Jan 01 2025
Journal Name
Frontiers In Heat And Mass Transfer
A Parametrical Comprehensive Review of Solar Assisted Humidification-Dehumidification Desalination Units
...Show More Authors

The deficiency of potable water resources and energy supply is emerging as a significant and concerning obstacle to sustainable development. Solar and waste heat-powered humidification dehumidification (HDH) desalination systems become essential due to the severe impacts of global warming and water shortages. This problem highlights the need to apply boosted water desalination solutions. Desalination is a capital-intensive process that demands considerable energy, predominantly sourced from fossil fuels worldwide, posing a significant carbon footprint risk. HDH is a very efficient desalination method suitable for remote areas with moderate freshwater requirements for domestic and agricultural usage. Several operational and maintenance conce

... Show More
View Publication
Scopus (2)
Crossref (2)
Scopus Crossref
Publication Date
Thu Feb 19 2026
Journal Name
Journal Of Physical Education
The Effect of Exercises Using Maximum Strength Assisting Training Apparatus On Some Working Muscles&#39; Electric Activity During Bench Press For Physical Strength Athletes Of Baghdad Clubs
...Show More Authors

View Publication
Publication Date
Mon Dec 30 2019
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Enhanced conversion of Glycerol to Glycerol carbonate on modified Bio-Char from reed plant: Enhanced conversion of Glycerol to Glycerol carbonate on modified Bio-Char from reed plant
...Show More Authors

The surplus glycerol produced from biodiesel production process as a by-product with high quantity can be considered as a good source to prepare glycerol carbonate (GC) whereas with each 1000 kg from biodiesel obtains 100 kg from glycerol. Glycerol converted to glycerol carbonate over bio-char as a catalyst prepared by slow pyrolysis process under various temperatures from 400 ᴼC to 800 ᴼC. The char prepared at 700 ᴼC considered as a best one between the others which was manufactured to activate the transesterification reaction. GC have large scale of uses such as liquid membrane in gas separation, surfactants ,detergents , blowing agent , in plastics industry, in  Pharmaceutical industry and electrolytes in lithium batteries.

... Show More
View Publication Preview PDF
Crossref (2)
Crossref