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November 28, 2025ChemistryOpenOpen Access

Synthesis of Pyrido2,3‐dAzolopyrimidinones: Design and Epidermal Growth Factor Receptor‐Targeted Molecular Docking Toward Novel Anticancer Leads

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Authors

SGSobhi M GomhaSASami A. Al-HussainBFBasant Farag

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Overview

Synthesis of novel anticancer leads shows cytotoxicity comparable to doxorubicin, suggesting effective EGFR targeting.

Key Points

  • Cytotoxicity against HepG2 cells showed submicromolar activity, with IC50 values of 0.72–0.95 µM compared to doxorubicin's 0.65 µM.
  • Molecular docking to the EGFR kinase domain indicated strong binding affinity, with scores from -9.6 to -10.2 kcal mol-1 for top compounds.
  • Structure–activity trends revealed that certain functionalities enhance the potency of synthesized compounds against cancer cells.
  • In silico ADMET predictions suggest these pyridopyrimidine scaffolds may offer favorable drug-likeness and non-mutagenic profiles.

Cite This Study

Gomha et al. (2025) studied this question.

synapsesocial.com/papers/6928f12ea65b730b9ea7a8dahttps://doi.org/10.1002/open.202500555
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  5. 5Design, evaluation, cytotoxic activity, molecular docking, ADMET analysis, and dynamic simulations and the preparation of new isoxazoles, thiazoles, 1,3-thiazines, and thiazolopyrimidines derived from quinoline-pyridopyrimidines2025 · 13 citations