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 Jun 06 2001
Journal Name
المجلة العراقية للعلوم الاحصائية
Suggest formulas for estimating carry-over effects in two-period changeover design
...Show More Authors

This research aims to suggest formulas to estimate carry-over effects with two-period change-over design, and then, all other effects in the analysis of variance of this design, and find the efficiency of the two-period change-over design relative to another design (say, completely randomized design).

Preview PDF
Publication Date
Fri Jan 01 2016
Journal Name
5th Iet International Conference On Renewable Power Generation (rpg), 2016, London, Uk
Electrical Machine Design for use in an External Combustion Free Piston Engine
...Show More Authors

Scopus (4)
Crossref (8)
Scopus Crossref
Publication Date
Tue Sep 15 2020
Journal Name
Al-academy
Strangeness Concept in Commercial Advertisement Design: يوسف مهدي سعيد -سحر علي سرحان
...Show More Authors

  Strangeness in design generally and in advertisement design specifically is manifested in various images and creative propositions and shapes that depart the traditional and conventional framework to elevate design to virtual intellectual worlds related to the inspirational and imaginative range of the creative designer, which makes the forms of strangeness a means for persuasion and astonishment which achieves the functional and aesthetic objectives of the advertisement. The two researchers identified the research question "what is the concept of strangeness in the commercial advertisements design? The research objective has been determined by identifying the concept of strangeness in the commercial advertisement design. Strangen

... Show More
View Publication Preview PDF
Crossref
Publication Date
Thu Oct 01 2015
Journal Name
Al-academy
Integrated in the industrial design system: نوال محسن علي، مصطفى محمد بركات
...Show More Authors

Although the majority of trends confirm the design aspects of the performance, functional and aesthetic design of the product. However, the attention was more focused on the nature of the plastic for those results, it is through the appearance of formal and guaranteed career such as designing Achieved adopt us the extent of the impact Relations Association between the elements and principles of design to achieve complementarity in the completed design of aesthetic and functional significance expressive and symbolic and in doing so has introduced a lot of new concepts for the arrangement and organization, coordination and functional classification of the unfinished design gave way to show diversity trends in the design of industrial produ

... Show More
View Publication Preview PDF
Crossref
Publication Date
Tue Jun 28 2022
Journal Name
College Of Islamic Sciences
The impact of sins and disobedience on the individual and society in the Holy Quran objective study
...Show More Authors

     The Noble Qur’an is the book of God, the Blessed and Exalted, in which is the teachings of God Almighty’s religion, which is Islam, in order for people to unite it and establish servitude to it. The individual and the society alike saw it appropriate to make my opinion alerting the seriousness of this matter, so the research was entitled (The Impact of Sins and Disobedience on the Individual and Society in the Holy Qur’an - Objective Study), knowing that we touched upon some of the effects, which we found it appropriate to mention in this research in the service of the good. Its details came in the Holy Qur’an without referring to others, noting their arrangement in the Holy Qur’an..

View Publication Preview PDF
Publication Date
Sun Jan 25 2026
Journal Name
Journal Of Physical Education
A study of some variables biomechanics in clean and jerk for the world champions men and women
...Show More Authors

View Publication
Publication Date
Mon Dec 21 2020
Journal Name
International Journal Of Environmental Analytical Chemistry
Comparative study of embedded functionalised MWCNTs and GO in Ultrafiltration (UF) PVC membrane: interaction mechanisms and performance
...Show More Authors

View Publication
Scopus (46)
Crossref (42)
Scopus Clarivate Crossref
Publication Date
Wed Jan 08 2025
Journal Name
Egyptian Journal Of Veterinary Sciences
Histological and Histochemical Study of the Esophagus Before and After Crop in the Guinea Fowl (Numida meleagris)
...Show More Authors

View Publication
Scopus Crossref
Publication Date
Sat Mar 30 2024
Journal Name
مجلة نسق
Education Skills and Their Role in the Health and Psychological Development of the Child An Anthropological Study
...Show More Authors

The study highlighted the transformation of value systems and educational patterns between past and present, especially with the introduction of modern variables and means, such as mobile phones, the internet, social media, and others. These factors have contributed both positively and negatively to the study. The study highlights the integral role of the school in collaboration with the family in guiding and educating children. It also emphasizes the active role of the school in developing students' abilities and skills, either attracting them to school or vice versa. This includes an examination of the essential skills required in education and their role in achieving a state of psychological well-being and systematically developing child

... Show More
View Publication
Publication Date
Sat Apr 01 2023
Journal Name
Journal Of Ecological Engineering
Dual Application of Al-Kheriat of Removal of Arsenic from Aqueous Solution and Acting as Rodenticide
...Show More Authors

Arsenic is a prevalent and pervasive environmental contaminant with varied amounts in drinking water. Arsenic exposure causes cancer, cardiovascular, liver, nerve, and ophthalmic diseases. The current study aimed to find the best conditions for eliminating arsenic from simulated wastewater and their effect on biomarkers of hepatic in mice. Adsorption tests including pH, contact duration, Al-kheriat dosage, and arsenic concentrations were evaluated. Seventy-two healthy albino mice (male) were accidentally allocated into nine groups (n = 8), the first group was considered as healthy control, the second group (AL-Kheriat), and other groups received AL-Kheriat and arsenic 25, 50, 75, 100, 125, 150 and 175 mg/kg, respectively. Next 10 days, the

... Show More
Crossref (3)
Crossref