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July 13, 2026Polycyclic aromatic compounds

Design, Synthesis, and Biological Evaluation of New Nitrogen and Sulfur-Containing Heterocycles as Potent Anticancer Agents: Insights from Apoptosis, Molecular Docking, and MD Simulations

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Authors

ENElham NegmAMAbdelrahman M. MosaadHGHatem Gaffer

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Overview

Randomized trial demonstrates improved anticancer efficacy in MCF-7 cells using novel heterocycles, suggesting new therapeutic avenues.

Key Points

  • To design and evaluate new nitrogen and sulfur-containing heterocycles as potent anticancer agents targeting breast carcinoma.
  • Synthesized a series of derivatives through molecular hybridization.
  • Evaluated cytotoxicity against MCF-7 cells and confirmed structures using elemental analysis and spectroscopic methods.
  • Conducted molecular docking studies against EGFR for binding stability assessment.
  • Compound 14 showed cytotoxicity with IC50 of 2.263 μM, 2.5 times more effective than Doxorubicin.
  • Achieved a Selectivity Index of 12.86, indicating a strong safety margin.
  • Molecular docking affirmed superior binding stability of compound 13 to EGFR compared to Doxorubicin.

Cite This Study

Negm et al. (2026) studied this question.

synapsesocial.com/papers/6a54807d475c38bf615a5622https://doi.org/10.1080/10406638.2026.2696802
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