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October 10, 2025ChemistrySelect

Synthesis, Anticancer Activity, and Computational Studies of Novel Imidazo1′,2′:1,5pyrazolo3,4‐bpyridine Derivatives

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Authors

AAA.-H. Abdel-RahmanFEFarag A. El‐EssawyNANorah M. Almaneai

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Overview

Synthesis reveals potent cytotoxicity against colorectal and breast cancer cells, suggesting interactions with EGFR.

Key Points

  • Compounds 9 and 16 exhibited the highest cytotoxicity against HCT-116 and MCF-7 cancer cell lines, demonstrating significant potential.
  • Molecular docking studies assessed binding with EGFR, indicating strong interactions and supporting the compound's anticancer activity.
  • Molecular dynamics simulations confirmed the stability of the protein-ligand complex, aiding in understanding binding interactions.
  • Density functional theory analysis highlighted compound 16's electron-donating properties and strong binding affinity, emphasizing its potential.

Cite This Study

Abdel-Rahman et al. (2025) studied this question.

synapsesocial.com/papers/68e8619c7ef2f04ca37e424fhttps://doi.org/10.1002/slct.202502934
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