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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 Nov 05 2025
Journal Name
Journal Of Oral Biology And Craniofacial Research
The effect of thermocycling on fracture resistance of zirconia crowns cemented with polylysine modified resin cements (Comparative in vitro study)
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ABSTRACT Background: resin cement type and intraoral temperature fluctuations may affect the fracture performance of successful zirconia restorations. To fill this gap, the purpose of this study is to evaluate and compare the influence of thermocycling on fracture resistance and mode of failure of monolithic zirconia crowns luted with Rely X™ U200 and BreezeTMself-adhesive resin cements as well as imply the effect of adding 2 % of polylysine (PLS) to these cements. Materials: 64 maxillary premolars were milled out of zirconia blocks using CAD/CAM milling system. They were divided into four groups (n = 16) according to the cement type. Four different resin cements were used (RelyXTMU200, Breeze™, RelyX™ U200 with 2 % PLS

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Publication Date
Thu Jun 30 2016
Journal Name
Al-kindy College Medical Journal
Knowledge, attitude & practice of pregnant women about the role of periconceptional use of folic acid in three primary health care centers in Baghdad / AL-Russafa
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Background: Folic acid (vitamin B9) is one of the important vitamins that are necessary for growth and development of the embryo and preventing the occurrence of congenital malformations which are one of the important health problems in the developing countries and the world as it has a direct effect on the affected babies, their families and the community. It affects an estimated 3% of newborns worldwide.Periconceptional supplementation with folic acid (before conception and during the first 12 weeks of pregnancy) was found to decrease many important types of these anomalies. Objectives: The aim of this study is to assess knowledge, attitude and practice of periconceptional use of folic acid in pregnant women who are attending antenatal

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Publication Date
Tue Jan 01 2019
Journal Name
International Journal Of Agricultural And Statistical Sciences
Effect of foliar spraying with gibberellic and humic acid on wheat growth
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Scopus
Publication Date
Fri Sep 15 2023
Journal Name
Revis Bionatura
Description and determination of the nanocellulose components produced from acetic acid bacteria
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Some microorganisms can produce nanocellulose, which is known as bacterial nanocellulose (BNC); the most active bacterial producer is acetic acid bacteria (AAB), which is a gram-negative, motile and obligate aerobic belongs to the family Acetobacteraceae. Bacterial nanocellulose has excellent attention in medical (surgical domain), industrial and pharmaceutical fields because of its flexible properties, characteristics and advantages. So, in this study, the AAB (5AC) isolate was isolated from apple vinegar. The production of BNC was performed by using a natural medium called palm dates liquid medium, the produced bacterial Cellulose was purified by using the sodium hydroxide method; it was observed that the wet weight of the BNC was a

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Scopus
Publication Date
Tue Mar 20 1990
Journal Name
المجلة العراقية للعلوم
INACTIVATION OF GENTAMYCIN AND STREPTOMYCIN TOXICITY AGAINST E.COLI BY AMINO ACID SUPPLEMENTATION
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Various nutritional solutions given to patients contain amino acids. Possible interference of this supplementation with selected aminoglycoside antiboiotics, namely gentamycin and streptomycin was evaluated in vitro. In minimal medium, E.coli was inhibited by gentamycin and by streptomycin. Circumvention of this inhibition was obtained with a mixture of 20 amino acids in the medium. Deletion of amino acids revealved that circumvention. specific amino acids were required for such Deletion of the aromatic amino acids or cysteine abolished the protection against gentamycin and streptomycin, while the deletion of the branched chain amino acids abolished the protection against streptomycin only. Thereonine, on the other hand, appears to be essen

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Publication Date
Sun Mar 30 2025
Journal Name
Studia Universitatis Babeș-bolyai Chemia
GREEN SPECTROPHOTOMETRIC METHOD FOR CONCURRENT ESTIMATION OF PIROXICAM AND MEFENAMIC ACID MIXTURE
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The purpose of this work is to concurrently estimate the UVvisible spectra of binary combinations of piroxicam and mefenamic acid using the chemometric approach. To create the model, spectral data from 73 samples (with wavelengths between 200 and 400 nm) were employed. A two-layer artificial neural network model was created, with two neurons in the output layer and fourteen neurons in the hidden layer. The model was trained to simulate the concentrations and spectra of piroxicam and mefenamic acid. For piroxicam and mefenamic acid, respectively, the Levenberg-Marquardt algorithm with feed-forward back-propagation learning produced root mean square errors of prediction of 0.1679 μg/mL and 0.1154 μg/mL, with coefficients of determination of

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Publication Date
Sun Mar 30 2025
Journal Name
Studia Universitatis Babeș-bolyai Chemia
GREEN SPECTROPHOTOMETRIC METHOD FOR CONCURRENT ESTIMATION OF PIROXICAM AND MEFENAMIC ACID MIXTURE
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Publication Date
Sat Mar 31 2018
Journal Name
Journal Of Engineering
Potential of Microalgae Cultivation in Dairy Wastewater as a Step in Low-Cost Biofuel Production
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The present study addresses adopting the organic and nutritious materials in dairy wastewater as media for cultivation of microalgae, which represent an important source of renewable energy. This study was carried out through cultivation of three types of microalgae; Chlorella sp., Synechococcus, and Anabaena. The results shows the success the cultivation of the Synechococcus and  Chlorella Sp, while the Anabaena microalgae were in low-growth level. The highest growth was in the Synechococcus farm, followed by Chlorella and Anabaena. However, the growth of Synechococcus required 10 days to achieve this increase that re

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Publication Date
Fri Sep 15 2023
Journal Name
Journal Of Baghdad College Of Dentistry
Investigating the impact of non-nutritive sweeteners on the antifungal potential of alcoholic and aqueous Eucalyptus extracts against salivary candida albicans (An in-vitro study)
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Background: Eucalyptus extracts and derivatives are natural substances with potent antimicrobial properties. This study investigated the in- vitro effects of non-nutritive sweeteners on the antifungal activity of alcoholic and aqueous Eucalyptus extracts against Candida albicans, a common oral pathogen. Materials and Method: Ten isolates of Candida albicans were isolated from dental students’ salivary samples. The alcoholic and aqueous extracts were prepared from fresh Eucalyptus leaves using maceration. The sensitivity of Candida albicans isolates to various concentrations of Eucalyptus extracts ranging from 50 to 250 (mg/mL) was evaluated via agar well diffusion method, while the agar streaking method  was used to assess the minimum

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Publication Date
Tue Feb 17 2026
Journal Name
Journal Of Baghdad College Of Dentistry
The effect of thermocycling and debonding time on the shear bond strength of different orthodontic brackets bonded with light-emitting diode adhesive (In vitro study)
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Background: Thermocycling simulates the temperature dynamics in the oral environment. This in vitro study done to measure and compare the effect of thermocycling on the shear bond strength of stainless steel and sapphire brackets bonded to human enamel teeth using light cured orthodontic adhesive and debonded at various time, and to measure adhesive remnant index after debonding. Materials and Methods: one-hundred-twenty extracted upper first premolars for orthodontic reason were used in this study; depending on weather thermocycled or not, the sample was divided into two main groups, then within each group 30 teeth were used for stainless-steel brackets (Bionic®) and for sapphire brackets (Pure®). Both groups were subdivided into three

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