Design, synthesis, molecular modeling, and biological evaluations of novel chalcone based 4-Nitroacetophenone derivatives as potent anticancer agents targeting …

SA Mir, N Murmu, RK Meher, I Baitharu… - Journal of …, 2024 - Taylor & Francis
A series of chalcone-based 4-Nitroacetophenone derivatives were designed and
synthesized by the single-step condensation method. These compounds were identified by …

A new anticancer derivative of the natural alkaloid, theobromine, as an EGFR inhibitor and apoptosis inducer

IH Eissa, R G. Yousef, H Elkady, EB Elkaeed… - Theoretical Chemistry …, 2024 - Springer
The epidermal growth factor receptor (EGFR) plays a key role in the pathogenesis of
cancers of different types. It has been shown that EGFR and EGF-like peptides are often …

Anticancer Activity, DFT Calculation, ADMET Study and Molecular Docking of Synthetic Chalcone (2E)-1-(4-Aminophenyl)-3-(3, 4, 5-trimethoxyphenyl)-2-propen-1 …

AS Patel, PD Patel, S Sharma - Journal of Molecular Structure, 2024 - Elsevier
Abstract The (2E)-1-(4-Aminophenyl)-3-(3, 4, 5-trimethoxyphenyl)-2-propen-1-one was
prepared by the reaction between 4-aminoacetophenone and 3, 4, 5, trimethoxy …

[HTML][HTML] Biological evaluation and molecular dynamics simulation of chalcone derivatives as epidermal growth factor-tyrosine kinase inhibitors

K Sangpheak, L Tabtimmai, S Seetaha, C Rungnim… - Molecules, 2019 - mdpi.com
Targeted cancer therapy has become a high potential cancer treatment. Epidermal growth
factor receptor (EGFR), which plays an important role in cell signaling, enhanced cell …

[HTML][HTML] Molecular dynamic simulation, free binding energy calculation of Thiazolo-[2, 3-b] quinazolinone derivatives against EGFR-TKD and their anticancer activity

SA Mir, RK Meher, I Baitharu, B Nayak - Results in Chemistry, 2022 - Elsevier
Epidermal growth factor receptor tyrosine kinase domain (EGFR-TKD) plays a crucial role in
the onset and progression of different types of cancers. The existing EGFR-TKD inhibitors …

Bioinspired thiazolo-[2,3-b] quinazolin-6-one derivatives as potent anti-cancer agents targeting EGFR: their biological evaluations and in silico assessment

SA Mir, PP Mohanta, RK Meher, I Baitharu… - Molecular Diversity, 2023 - Springer
Cancer is a challenging and second most deadly disease. The epidermal growth factor
receptors (EGFRs) dimerize upon ligand bindings to the extracellular domain that intiates …

Molecular docking studies and ADME predictions on synthesized chalcone compounds targeting EGFR

Ö Gündoğdu - Hittite Journal of Science and Engineering, 2023 - dergipark.org.tr
In the present study, new chalcone derivatives (5a–5f) obtained from the condensation
reaction of cuminaldehyde and acetophenone compounds containing different substituents …

[HTML][HTML] Design, Synthesis, anticancer evaluation and in silico studies of 2, 4, 6-trimethoxychalcone derivatives

T Li, W Li, X Yang, G Chen, X Jin, W Chen… - Saudi Pharmaceutical …, 2023 - Elsevier
Chalcone, a common chemical scaffold of many naturally occurring compounds, has been
widely used as an effective template for drug discovery due to its broad biological activities …

Molecular Docking and Molecular Dynamic Investigations of Xanthone-Chalcone Derivatives against Epidermal Growth Factor Receptor for Preliminary Discovery of …

YS Kurniawan, E Yudha, G Nugraha… - Indonesian Journal of …, 2024 - journal.ugm.ac.id
Epidermal growth factor receptor (EGFR) is found to be overexpressed in cancer cells as it
controls angiogenesis, cell signaling, and proliferation mechanisms. Therefore, EGFR has …

Semi-synthesized anticancer theobromine derivatives targeting VEGFR-2: in silico and in vitro evaluations

MA Dahab, HA Mahdy, H Elkady… - Journal of …, 2024 - Taylor & Francis
Vascular endothelial cell proliferation and angiogenesis are all crucially impacted by
Endothelial Growth Factor Receptor-2 (VEGFR-2). Its expression is significantly boosted …