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Synthesis, In Silico Prediction, and In Vitro Evaluation of Anti-tumor Activities of Novel 4'-Hydroxybiphenyl-4-carboxylic Acid Derivatives as EGFR Allosteric Site Inhibitors
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Introduction:

Allosteric inhibition of EGFR tyrosine kinase (TK) is currently among the most attractive approaches for designing and developing anti-cancer drugs to avoid chemoresistance exhibited by clinically approved ATP-competitive inhibitors. The current work aimed to synthesize new biphenyl-containing derivatives that were predicted to act as EGFR TK allosteric site inhibitors based on molecular docking studies.

Methods:

A new series of 4'-hydroxybiphenyl-4-carboxylic acid derivatives, including hydrazine-1-carbothioamide (S3-S6) and 1,2,4-triazole (S7-S10) derivatives, were synthesized and characterized using IR, 1HNMR, 13CNMR, and HR-mass spectroscopy.

Results:

Compound S4 had a relatively high pharmacophore-fit score, indicating that it may have biological activity similar to the EGFR allosteric inhibitor reference, and it scored a relatively low ΔG against EGFR TK allosteric site, indicating a high likelihood of drug-receptor complex formation. Compound S4 was cytotoxic to the three cancer cell lines tested, particularly HCT-116 colorectal cancer cells, with an IC50 value comparable to Erlotinib. Compound S4 induced the intrinsic apoptotic pathway in HCT-116 cells by arresting them in the G2/M phase. All of the new derivatives, including S4, met the in silico requirements for EGFR allosteric inhibitory activity.

Conclusion:

Compound S4 is a promising EGFR tyrosine kinase allosteric inhibitor that warrants further research.

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Publication Date
Sat Sep 30 2023
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Accurate Petrophysical Interpretation of Carbonate using the Elemental Capture Spectroscopy (ECS)
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Elemental capture spectroscopy (ECS) is an important tool in the petroleum industry for determining the composition and properties of rock formations in a reservoir. Knowledge of the types and abundance of different minerals in the reservoir is crucial for accurate petrophysical interpretation, reservoir engineering practices, and stratigraphic correlation. ECS measures the elemental content of the rock, which directly impacts several physical properties that are essential for reservoir characterization, such as porosity, fluid saturation, permeability, and matrix density. The ability to accurately determine these properties leads to better reservoir mapping, improved production, and more effective resource management. Accurately determi

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Publication Date
Sat Dec 02 2017
Journal Name
Al-khwarizmi Engineering Journal
Free Vibration Analysis for Dynamic Stiffness Degradation of Cracked Cantilever Plate
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In the present work a dynamic analysis technique have been developed to investigate and characterize the quantity of elastic module degradation of cracked cantilever plates due to presence of a defect such as surface of internal crack under free vibration. A new generalized technique represents the first step in developing a health monitoring system, the effects of such defects on the modal frequencies has been the main key quantifying the elasticity modulii due to presence any type of un-visible defect. In this paper the finite element method has been used to determine the free vibration characteristics for cracked cantilever plate (internal flaws), this present work achieved by different position of crack. Stiffness re

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Publication Date
Thu Jan 01 2026
Journal Name
Malaysian Journal Of Nursing
Impact of Foot Reflexology on Neonates with Hyperbilirubinemia: A Systematic Review
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Background: Neonatal hyperbilirubinemia is a prevalent condition commonly treated with phototherapy. While effective, phototherapy can cause adverse effects such as dehydration and maternal separation, necessitating complementary care strategies. Objectives: This systematic review aims to evaluate the efficacy of foot reflexology and related tactile interventions on bilirubin levels and physiological parameters in neonates undergoing treatment for hyperbilirubinemia. Methods: A systematic search was conducted across five electronic databases (PubMed, Scopus, Web of Science, Google Scholar, and Cochrane Library) for studies published between 2019 and 2025. The review followed the PRISMA guidelines and PICOS framework. Twenty studies,

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Publication Date
Thu Oct 01 2015
Journal Name
Journal Of Engineering
Numerical Simulation of Natural Convection Heat Transfer from Interrupted Rectangular Fins
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      Numerical simulations have been investigated to study the external free convective heat transfer from a vertically rectangular interrupted fin arrays. The continuity, Naver-Stockes and energy equations have been solved for steady-state, incompressible, two dimensional, laminar with Boussiuesq approximation by Fluent 15 software. The performance of interrupted fins was evaluated to gain the optimum ratio of interrupted length to fin length (

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Publication Date
Sun Apr 08 2018
Journal Name
Al-khwarizmi Engineering Journal
Design of Hybrid Neural Fuzzy Controller for Human Robotic Leg System
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 In this paper, the human robotic leg which can be represented mathematically by single input-single output (SISO) nonlinear differential model with one degree of freedom, is analyzed and then a simple hybrid neural fuzzy controller is designed to improve the performance of this human robotic leg model. This controller consists from SISO fuzzy proportional derivative (FPD) controller with nine rules summing with single node neural integral derivative (NID) controller with nonlinear function. The Matlab simulation results for nonlinear robotic leg model with the suggested controller showed that the efficiency of this controller when compared with the results of the leg model that is controlled by PI+2D, PD+NID, and F

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Publication Date
Mon Dec 08 2025
Journal Name
Nanomaterials
High-Temperature Properties of Hot Mix Asphalt Modified with Different Nanomaterials
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Rutting is a predominant distress in asphalt pavements, particularly in hot climatic regions. This study systematically investigated the high-temperature performance of hot mix asphalt modified with five nanomaterials, namely, nano-silica (NS), nano-alumina (NA), nano-titanium (NT), nano-zinc (NZ), and carbon nanotubes (CNTs), under consistent laboratory conditions. Modification dosages were selected up to 10% for NS, NA, and NT, and up to 5% for NZ and CNTs. The experimental methodology comprised the following: (i) binder rheological characterization through rotational viscosity, G*/sinδ, and multiple stress creep recovery (MSCR) to quantify rutting susceptibility; (ii) chemical and microstructural assessments using Fourier transf

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Publication Date
Thu Feb 01 2024
Journal Name
Journal Of Engineering
Improving the Bearing Capacity of Clay Soil Using Plastic Bottle Waste
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With the increase in industry and industrial products, quantities of waste have increased worldwide, especially plastic waste, as plastic pollution is considered one of the wastes of the modern era that threatens the environment and living organisms. On this basis, a solution must be found to use this waste and recycle it safely so that it does not threaten the environment. Therefore, this research used plastic waste as an improvement material for clay soil. In this research, two types of tests were conducted, the first of which was a laboratory test, where the undrained shear strength (cohesion), compression index (Cc), and swelling index (Cr) of the improved and unimproved soils were calculated (plastic was added in pr

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Publication Date
Sat Feb 01 2020
Journal Name
Civil Engineering Journal
Assessment of Moisture Susceptibility for Asphalt Mixtures Modified by Carbon Fibers
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Moisture induced damage in asphaltic pavement might be considered as a serious defect that contributed to growth other distresses such as permanent deformation and fatigue cracking. This paper work aimed through an experimental effort to assess the behaviour of asphaltic mixtures that fabricated by incorporating several dosages of carbon fiber in regard to the resistance potential of harmful effect of moisture in pavement. Laboratory tests were performed on specimens containing fiber with different lengths and contents. These tests are: Marshall Test, the indirect tensile test and the index of retained strength. The optimum asphalt contents were determined based on the Marshall method. The preparation of asphaltic mixtures involved

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Publication Date
Wed Sep 18 2024
Journal Name
Water Science & Technology
Mathematical modeling of osmotic membrane bioreactor process for oily wastewater treatment
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ABSTRACT<p>To evaluate the disposal effluent from the Al-Daura refinery in Iraq, which comprises oily wastewater, a mathematical model has been developed for both forward osmosis (FO) and osmotic membrane bioreactor (OsMBR). The procedure is explained mathematically, accounting for both the concentration and polarization aspects. As a result of mathematical modeling, the water flux was determined by the osmotic pressure, the concentration, and the polarization of the feed and draw solutions. Based on traditional methods of predicting water flux using external and internal concentration polarizations, it is determined that water flux will occur in the first model (Model-1). To increase the accura</p> ... Show More
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Publication Date
Wed Jun 24 2026
Journal Name
Journal Of Applied Animal Research
Antimicrobial resistance of <i>Escherichia coli</i> isolated from broiler chicken
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Recent studies highlighted the hazard of emerging antimicrobial resistance (AMR) bacteria in domesticated animals, with multidrug resistance (MRD) patterns in poultry recorded with alarming intensity as a major reservoir. This resistance has been associated with the misuse and overuse of antimicrobial agents in poultry farms. This current study aimed to determine the multidrug resistance (MDR) patterns of Escherichia coli isolated from broiler chickens. A total of 32 human samples were taken from worker handlers (positive: 4 samples, 12.5%), and 40 samples were collected from poultry chickens (positive: 13 samples, 32.5%). The findings revealed marked resistance against six of the ten agents in the isolates (MDR being 100% in all samples an

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