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
Mon Oct 21 2019
Journal Name
Civil Engineering Journal
Non-Smooth Behavior of Reinforced Concrete Beam Using Extended Finite Element Method
...Show More Authors

Flexure members such as reinforced concrete (RC) simply supported beams subjected to two-point loading were analyzed numerically. The Extended Finite Element Method (XFEM) was employed for the treatment the non-smooth h behaviour such as discontinuities and singularities. This method is a powerful technique used for the analysis of the fracture process and crack propagation in concrete. Concrete is a heterogeneous material that consists of coarse aggregate, cement mortar and air voids distributed in the cement paste. Numerical modeling of concrete comprises a two-scale model, using mesoscale and macroscale numerical models. The effectiveness and validity of the Meso-Scale Approach (MSA) in modeling of the reinforced concrete beams w

... Show More
Scopus (2)
Crossref (2)
Scopus Clarivate Crossref
Publication Date
Sun Dec 30 2018
Journal Name
Journal Of Engineering
Adsorptive Removal of Furfural from Wastewater on Prepared Activated Carbon from Sawdust
...Show More Authors

Furfural is a toxic aromatic aldehyde that can cause a severe environmental problem especially the wastewater drown from petroleum refinery units. In the present work, a useless by-product from local furniture manufacturing industry; sawdust was used as raw material for the preparation of activated carbon which is chemically activated with phosphoric acid. The effect of adsorption variables which include initial pH of solution (2-9), agitation speed (50-250) rpm, agitation time (15-120) min, initial concentration of furfural (50-250) ppm, and amount of adsorbent material (0.5-2.5) g for the three adsorbents used (prepared activated carbon, commercial activated carbon and raw sawdust) were investigated in a batch process

... Show More
View Publication Preview PDF
Crossref (2)
Crossref
Publication Date
Wed Dec 01 2021
Journal Name
Civil And Environmental Engineering
Investigating the Critical Success Factors for Water Supply Projects: Case of Iraq
...Show More Authors
Abstract<p>Water supply projects (WSP) requires high plan information, specialized capabilities, capable human resources, and high administrative capacity. However, in the developing countries, particularly in Iraq, these projects experience a lack of a large number of these necessities, which shows the need to identify the critical success factors (CSFs). Accordingly, the objectives of this research are to investigate the CSFs for WSP and their significance among the construction (public and private) and education sectors. To achieve this, first we have carried out a comprehensive literature review of the CSFs for WSP. Second, we administrated a questionnaire survey to 260 construction experts </p> ... Show More
View Publication
Scopus (6)
Crossref (9)
Scopus Clarivate Crossref
Publication Date
Tue Dec 20 2022
Journal Name
International Journal Of Emerging Technologies In Learning (ijet)
Effect of Augmented Reality Technology on Spatial Intelligence among High School Students
...Show More Authors

Spatial Intelligence is a mental ability to understand and solve real-world problems. These visual-spatial representations are fundamental in learning various "STEM" topics, like digital drawing, art presentations, creating graphical representations, 2D designs. Opportunity to interact with real and/or virtual objects. It is a good opportunity in applying new techniques such as the augmenter, which is able to clarify mathematical tables, concepts and generalizations greatly to the visualization, understanding and mastery of concepts mathematically. The purpose of the research is to investigate impact of using AR technology in developing spatial intelligence for secondary school students, Baghdad. The quasi-experimental design was us

... Show More
View Publication
Scopus (19)
Crossref (10)
Scopus Crossref
Publication Date
Mon Feb 28 2022
Journal Name
International Journal Of Interactive Mobile Technologies (ijim)
Flying Ad hoc Networks (FANET): Performance Evaluation of Topology Based Routing Protocols
...Show More Authors

Flying Ad hoc Networks (FANETs) has developed as an innovative technology for access places without permanent infrastructure. This emerging form of networking is construct of flying nodes known as unmanned aerial vehicles (UAVs) that fly at a fast rate of speed, causing frequent changes in the network topology and connection failures. As a result, there is no dedicated FANET routing protocol that enables effective communication between these devices. The purpose of this paper is to evaluate the performance of the category of topology-based routing protocols in the FANET. In a surveillance system involving video traffic, four routing protocols with varying routing mechanisms were examined. Additionally, simulation experiments conduct

... Show More
View Publication Preview PDF
Crossref (24)
Crossref
Publication Date
Sun Feb 25 2024
Journal Name
Baghdad Science Journal
An Adaptive Harmony Search Part-of-Speech tagger for Square Hmong Corpus
...Show More Authors

Data-driven models perform poorly on part-of-speech tagging problems with the square Hmong language, a low-resource corpus. This paper designs a weight evaluation function to reduce the influence of unknown words. It proposes an improved harmony search algorithm utilizing the roulette and local evaluation strategies for handling the square Hmong part-of-speech tagging problem. The experiment shows that the average accuracy of the proposed model is 6%, 8% more than HMM and BiLSTM-CRF models, respectively. Meanwhile, the average F1 of the proposed model is also 6%, 3% more than HMM and BiLSTM-CRF models, respectively.

View Publication Preview PDF
Scopus (4)
Crossref (2)
Scopus Crossref
Publication Date
Mon Nov 01 2021
Journal Name
Journal Of Ecological Engineering
Adsorption of Lead Ions from Aqueous Solutions onto Rice Husks, Continuous System
...Show More Authors

View Publication
Scopus (9)
Crossref (5)
Scopus Clarivate Crossref
Publication Date
Sun Apr 28 2019
Journal Name
Civil Engineering Journal
Evaluation the Moisture Susceptibility of Asphalt Mixtures Containing Demolished Concrete Waste Materials
...Show More Authors

The distress of moisture induced damage in flexible pavement received tremendous attention over the past decades. The harmful effects of this distress expand the deterioration of other known distresses such as rutting and fatigue cracking. This paper focused on the efficiency of using the waste material of demolished concrete to prepare asphalt mixtures that can withstand the effect of moisture in the pavement. For this purpose, different percentages of waste demolished concrete (0, 10, 20, 30, 50, 70 and 100) were embedded as a replacement for coarse aggregate to construct the base course. The optimum asphalt contents were determined depending on the Marshall method. Then after, two parameters were founded to evaluate the moisture

... Show More
Scopus (12)
Crossref (8)
Scopus Clarivate Crossref
Publication Date
Mon Dec 20 2021
Journal Name
Baghdad Science Journal
Unifying The Evaluation Criteria Of Many Objectives Optimization Using Fuzzy Delphi Method
...Show More Authors

Many objective optimizations (MaOO) algorithms that intends to solve problems with many objectives (MaOP) (i.e., the problem with more than three objectives) are widely used in various areas such as industrial manufacturing, transportation, sustainability, and even in the medical sector.  Various approaches of MaOO algorithms are available and employed to handle different MaOP cases. In contrast, the performance of the MaOO algorithms assesses based on the balance between the convergence and diversity of the non-dominated solutions measured using different evaluation criteria of the quality performance indicators. Although many evaluation criteria are available, yet most of the evaluation and benchmarking of the MaOO with state-of-art a

... Show More
View Publication Preview PDF
Scopus (5)
Scopus Clarivate Crossref
Publication Date
Wed May 30 2018
Journal Name
Journal Of Engineering
Numerical Modeling of Water Movement from Buried Vertical Ceramic Pipes through Soils
...Show More Authors

The problem of water scarcity is becoming common in many parts of the world, to overcome part of this problem proper management of water and an efficient irrigation system are needed.  Irrigation with a buried vertical ceramic pipe is known as a very effective in the management of irrigation water.  The two- dimensional transient flow of water from a buried vertical ceramic pipe through homogenous porous media is simulated numerically using the HYDRUS/2D software.  Different values of pipe lengths and hydraulic conductivity were selected.  In addition, different values of initial volumetric soil water content were assumed in this simulation as initial conditions.  Different value

... Show More
View Publication Preview PDF
Crossref (1)
Crossref