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August 14, 2026Polycyclic aromatic compounds

New Tetrazole-1,3,4-Oxadiazole and 1,2,4-Triazole-based Benzothiazole Hybrids: Synthesis, Anticancer Activity, and Computational Investigations

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Authors

AKAsmaa F. KassemLALama A. AlshabaniASAsmaa Saleh

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Overview

In vitro study demonstrates potent cytotoxicity and apoptosis induction by novel benzothiazole hybrids in melanoma and pancreatic cancer cells, highlighting therapeutic potential.

Key Points

  • To synthesize novel tetrazole-1,3,4-oxadiazole and 1,2,4-triazole benzothiazole hybrids and evaluate their anticancer potential, selectivity, and apoptotic mechanisms.
  • Synthesized hybrid molecules via multistep synthesis and glycosylation.
  • Evaluated in vitro cytotoxicity across five human cancer cell lines (paca 2, Mel501, PC3, A-375, and caco2) and normal cells, followed by cell cycle, DNA fragmentation, and p53/caspase-3/7 assays.
  • Conducted molecular docking and molecular dynamics simulations targeting EGFR and caspase-3.
  • Compound 15 demonstrated potent anticancer efficacy against melanoma (Mel501, IC50: 15 ± 1.7 µM) and pancreatic cancer (paca 2, IC50: 45 ± 3.1 µM) cells with a favorable safety profile on normal cells.
  • Treatment with compound 15 induced cell cycle arrest, elevated p53 and caspase-3/7 levels, and increased DNA fragmentation, driving apoptosis in Mel501 cells.
  • Computational modeling confirmed favorable binding affinity and structural stability of compound 15 within EGFR and caspase-3 active sites.

Cite This Study

Kassem et al. (2026) studied this question.

synapsesocial.com/papers/6a7ec79cb70b84ec8b9140f7https://doi.org/10.1080/10406638.2026.2712312
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