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 Jun 16 2022
Journal Name
Clean Technologies
Performance Evaluation of Roughened Solar Air Heaters for Stretched Parameters
...Show More Authors

Artificial roughness applied to a Solar Air Heater (SAH) absorber plate is a popular technique for increasing its total thermal efficiency (ηt−th). In this paper, the influence of geometrical parameters of V-down ribs attached below the corrugated absorbing plate of a SAH on the ηt−th was examined. The impacts of key roughness parameters, including relative pitch p/e (6–12), relative height e/D (0.019–0.043), angles of attack α (30–75°), and Re (1000–20,000), were examined under real weather conditions. The SAH ηt−th roughened by V-down ribs was predicted using an in-house developed conjugate heat-transfer numerical model. The maximum SAH ηt−th was shown to be 78.8% as predicted under the steady-state condition

... Show More
Scopus (6)
Crossref (4)
Scopus Clarivate Crossref
Publication Date
Thu Oct 18 2018
Journal Name
Applied Bionics And Biomechanics
Active Impedance Control of Bioinspired Motion Robotic Manipulators: An Overview
...Show More Authors

There are two main categories of force control schemes: hybrid position-force control and impedance control. However, the former does not take into account the dynamic interaction between the robot’s end effector and the environment. In contrast, impedance control includes regulation and stabilization of robot motion by creating a mathematical relationship between the interaction forces and the reference trajectories. It involves an energetic pair of a flow and an effort, instead of controlling a single position or a force. A mass-spring-damper impedance filter is generally used for safe interaction purposes. Tuning the parameters of the impedance filter is important and, if an unsuitable strategy is used, this can lead to unstabl

... Show More
View Publication
Scopus (68)
Crossref (56)
Scopus Clarivate Crossref
Publication Date
Fri Nov 01 2024
Journal Name
Journal Of Drug Delivery Science And Technology
Localized delivery of healing stimulator medicines for enhanced wound treatment
...Show More Authors

View Publication
Scopus (43)
Crossref (28)
Scopus Clarivate Crossref
Publication Date
Tue Dec 03 2019
Journal Name
Civil Engineering Journal
Moisture Susceptibility of Asphalt Concrete Pavement Modified by Nanoclay Additive
...Show More Authors

Durability of hot mix asphalt (HMA) against moisture damage is mostly related to asphalt-aggregate adhesion. The objective of this work is to find the effect of nanoclay with montmorillonite (MMT) on Marshall properties and moisture susceptibility of asphalt mixture. Two types of asphalt cement, AC(40-50) and AC(60-70) were modified with 2%, 4% and 6% of Iraqi nanoclay with montmorillonite. The Marshall properties, Tensile strength ratio(TSR) and Index of retained strength(ISR) were determined in this work. The total number of specimens was 216 and the optimum asphalt content was 4.91% and 5% for asphalt cement (40-50) and (60-70) respectively. The results showed that the modification of asphalt cement with MMT led to increase Marsh

... Show More
Scopus (18)
Crossref (15)
Scopus Clarivate Crossref
Publication Date
Sun Jul 31 2022
Journal Name
Iraqi Geological Journal
A Review of Historical Studies for Water Saturation Determination Techniques
...Show More Authors

Water saturation is the most significant characteristic for reservoir characterization in order to assess oil reserves; this paper reviewed the concepts and applications of both classic and new approaches to determine water saturation. so, this work guides the reader to realize and distinguish between various strategies to obtain an appropriate water saturation value from electrical logging in both resistivity and dielectric has been studied, and the most well-known models in clean and shaly formation have been demonstrated. The Nuclear Magnetic Resonance in conventional and nonconventional reservoirs has been reviewed and understood as the major feature of this approach to estimate Water Saturation based on T2 distribution. Artific

... Show More
View Publication Preview PDF
Scopus (8)
Crossref (4)
Scopus Crossref
Publication Date
Tue May 16 2023
Journal Name
Journal Of Engineering
FREE VIBRATION ANALYSIS OF COMPOSITE LAMINATED PLATES USING HOST 12
...Show More Authors

This paper presents an application of a Higher Order Shear Deformation Theory (HOST 12) to problem
of free vibration of simply supported symmetric and antisymmetric angle-ply composite laminated plates.
The theoretical model HOST12 presented incorporates laminate deformations which account for the effects
of transverse shear deformation, transverse normal strain/stress and a nonlinear variation of in-plane
displacements with respect to the thickness coordinate – thus modeling the warping of transverse crosssections more accurately and eliminating the need for shear correction coefficients. Solutions are obtained in
closed-form using Navier’s technique by solving the eigenvalue equation. Plates with varying number of

... Show More
View Publication Preview PDF
Crossref
Publication Date
Tue Dec 01 2015
Journal Name
Journal Of Engineering
Deterministic Analysis of Wind Loads Effects on High-Rise Buildings
...Show More Authors

This paper studies the effect of mean wind velocity on tall building. Wind velocity, wind profile and wind pressure have been considered as a deterministic phenomenon. Wind velocity has been modelled as a half-sinusoidal wave. Three exposures have been studied B, C, and D. Wind pressure was evaluated by equation that joined wind pressure with mean wind velocity, air density, and drag coefficient.

Variations of dynamic load factor for building tip displacement and building base shear were studied for different building heights, different mode shapes, different terrain exposures, and different aspect ratios of building plan. SAP software, has been used in modelling and dynamic analysis for all case studies.

... Show More
View Publication Preview PDF
Publication Date
Sat Apr 01 2023
Journal Name
Journal Of Engineering
Water Quality Assessment of Al-Najaf City Potable Water Network
...Show More Authors

 Water is an essential aspect of life and important in evolution. Recently the potable water quality topic has received much attention. The study aims to determine drinking water quality in Al-Najaf City by collecting samples throughout Al-Najaf city and comparing the results with the Iraqi guidelines (IQS 417) and World Health Organization (WHO) guidelines, as well as to calculate the WQI. Samples were tested in the laboratory between December 2021 and June 2022. The results showed that multiple parameters exceeded the allowable limits during both testing periods; during winter months, the results of TDS and turbidity exceeded the upper limits in multiple locations. Total hardness values also

... Show More
View Publication Preview PDF
Crossref
Publication Date
Mon Jun 19 2023
Journal Name
Journal Of Engineering
Behavior of Reinforced Gypseous Soil Embankment Model under Cyclic Loading
...Show More Authors

The construction of embankment for roadway interchange system at urban area is restricted due to the large geometry requirements, since the value of land required for such construction is high, and the area available is limited as compared to rural area. One of the optimum solutions to such problem is the earth reinforcement technique which requires a limited area for embankment construction. Gypseous soil from Al-Anbar governorate area was obtained and subjected to various physical and chemical analysis to determine it is properties. A laboratory model box of 50x50x25 cm was used as a representative embankment; soil has been compacted in five layers at maximum dry density (modified compaction) and an aluminum reinforcement strips were i

... Show More
View Publication Preview PDF
Crossref
Publication Date
Tue Nov 01 2022
Journal Name
Japanese Dental Science Review
Pathogenesis of periodontitis – A potential role for epithelial-mesenchymal transition
...Show More Authors

View Publication
Scopus (44)
Crossref (46)
Scopus Clarivate Crossref