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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
Wed Apr 25 2018
Journal Name
Earthquake And Structures
Response of circular footing on dry dense sand to impact load with different embedment depths
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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of Advanced Pharmacy Education And Research
Co-surfactant effect of polyethylene glycol 400 on microemulsion using BCS class II model drug
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Publication Date
Mon Jun 01 2026
Journal Name
Physical Chemistry Research
Investigating the Optoelectronic Properties of Hafnium-Doped CeO2 at Applied Hydrostatic Pressures: DFT+U Approach
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Rare-earth metal oxides (REMOs) exhibit distinctive properties, among which cerium oxide (CeO2) displays numerous industrial, technological, and medical applications. However, the inclusion of hafnium (Hf) at the cerium (Ce) site to form the (Ce1-ₓHfₓO2) lattice system at a concentration of x = 0.25 would have an impact on enhancing the physical properties of the simulated configuration. Density functional theory (DFT) was used to perform the calculations, supported by the Hubbard correction factor (U). The generalized gradient approximation (GGA-PBE) was employed to analyze the electronic, structural, optical, and mechanical properties at hydrostatic pressures (P = 0, 25, 50, 75, and 100 GPa). The ground state geometry of the pristine

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Publication Date
Wed Oct 31 2018
Journal Name
Al-kindy College Medical Journal
Peers Pressure And Families Smoking Habit Influence On Smoking Behavior among male Students attending Secondary Schools At second Al- Kurkh education Directorate /Baghdad.
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Background:  There is a strong desire of adolescent to have a peer group and to be appreciated and also to become a member of this group which can affect one each other. There for; encourage, adapting,and imitating of friends and group consider as the main reasons behind starting of smoking among youngsters. Smoking habits in the family were found tobe acause of smoking pressure among adolescentas peer pressure. Smoking habit may be started before 18 years of age in most adult smokers.

Objectives: To study the effect of peer pressure and family smoking habiton the prevalence of smoking among secondary school students.

Type of the study:  A cross

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Publication Date
Wed Dec 13 2017
Journal Name
Al-khwarizmi Engineering Journal
A Comparison Between Recursive Least-Squares (RLS) and Extended Recursive Least-Squares (E-RLS) for Tracking Multiple Fast Time Variation Rayleigh Fading Channel
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In order to select the optimal tracking of fast time variation of multipath fast time variation Rayleigh fading channel, this paper focuses on the recursive least-squares (RLS) and Extended recursive least-squares (E-RLS) algorithms and reaches the conclusion that E-RLS is more feasible according to the comparison output of the simulation program from tracking performance and mean square error over five fast time variation of Rayleigh fading channels and more than one time (send/receive) reach to 100 times to make sure from efficiency of these algorithms.

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Publication Date
Tue Sep 27 2022
Journal Name
Al–bahith Al–a'alami
Motives for public exposure to advertisement through smart phone applications and its purchasing decisions relationship (A research drawn from a Master Degree thesis)
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Advertisement on smart phone shopping apps are a new way of driving users to satisfy their needs and influence their purchasing decisions, In this way, the research could be aimed to know The role of the relationship between the motivations for audience exposure to shopping apps advertisement and purchasing decisions, In order to achieve the objectives of the research, the researcher adopted the survey method and used the questionnaire and the scale to collect data and information, The researcher chose the "random sample multi stages", The sample size was (475) respondents from Baghdad city center (18 years and above) women and men.

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Publication Date
Thu Aug 29 2024
Journal Name
European Journal Of Orthodontics
Poly-ether-ether-ketone (PEEK) versus dead-soft coaxial bonded retainers: a randomized clinical trial. Part 1. Stability, retainer failure, and participant satisfaction
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Abstract<sec> <title>Background

Poly-ether-ether-ketone (PEEK) was introduced in dentistry as an alternative to metal alloys.

Objective

To assess the effectiveness of PEEK-fixed retainers in preserving the stability of mandibular anterior and participant satisfaction as compared to the Dead-soft coaxial fixed retainer (DSC).

Trial design

A single-centre, two-arm parallel groups

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Publication Date
Mon Jan 01 2024
Journal Name
Journal Of Oral Medicine And Oral Surgery
Evaluating dental implant stability using three devices Osstell<sup>®</sup>, Periotest<sup>®</sup>, and AnyCheck<sup>®</sup>: a clinical study
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Introduction: Implant stability is usually measured with resonance frequency analysis (RFA) and damping capacity assessment (DCA). This study aimed to measure primary and secondary stabilities using 3 devices that are based on these methods, namely; RFA (Osstell®) and DCA (Periotest® and AnyCheck®) to assess the correlations of the measurements obtained by these devices and the correlations between implant stability and insertion torque. Material and Methods: This observational prospective study included 35 dental implants. The implant stability was measured using the 3 devices. Mann–Whitney U

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Publication Date
Wed May 10 2017
Journal Name
Parasitology
The antifungal Aureobasidin A and an analogue are active against the protozoan parasite<i>Toxoplasma gondii</i>but do not inhibit sphingolipid biosynthesis
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Toxoplasma gondiiis an obligate intracellular protozoan parasite of the phylum Apicomplexa, and toxoplasmosis is an important disease of both humans and economically important animals. With a limited array of drugs available there is a need to identify new therapeutic compounds. Aureobasidin A (AbA) is an antifungal that targets the essential inositol phosphorylceramide (IPC, sphingolipid) synthase in pathogenic fungi. This natural cyclic depsipeptide also inhibitsToxoplasmaproliforation, with the protozoan IPC synthase orthologue proposed as the target. The data presented here show that neither AbA nor an analogue (Compound 20), target the protozoan IPC synthase orthologue or total parasite sphingol

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Publication Date
Thu Jan 01 2026
Journal Name
Rsc Advances
A dual-angle optoelectronic flow injection platform for ferrous ion (Fe <sup>2+</sup> ) determination using blue LED excitation and solar cell detection
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A new optoelectronic flow injection method is proposed for the determination of ferrous ions (Fe 2+ ) based on thiocyanate complexation to form a deep-red FeSCN 2+ complex.

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