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September 10, 2025ChemistrySelect

Design, Synthesis, and In‐Silico Molecular Docking Studies of 1,2,3‐Triazole‐Bearing Oxepinopyridine Derivatives as Potent Anticancer Agents

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Authors

NSNaveen Kumar SureddySPSanthosh PentaTMTungabidya Maharana

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Overview

In vitro analyses reveal promising anticancer activity of new oxepine-pyridine compounds, suggesting potential development for clinical use.

Key Points

  • Compounds 6b and 6g exhibit strong inhibitory activity against HCT‐116 cells with IC50 values of 5.9 and 4.6 µM, respectively.
  • Molecular docking studies show compound 6e achieves a docking score of –10.85 kcal/mol with extensive interactions at the STAT3B receptor.
  • Several oxepine–pyridine analogues displayed excellent anticancer activity, particularly in HeLa and MCF‐7 cell lines.
  • Physicochemical and ADMET predictions indicate favorable drug-like characteristics for the synthesized compounds.

Cite This Study

Sureddy et al. (2025) studied this question.

synapsesocial.com/papers/68c23f1fb210217d647952cfhttps://doi.org/10.1002/slct.202502456
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