Design, synthesis and biological evaluation of a 4,6-di(aziridin-1-yl)-1,3,5-triazine–benzimidazole hybrid as a potential dual-targeting anticancer agent

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Key Points

The aim is to design and evaluate a new anticancer agent that targets PARP-1 and has dual action against tumor cells.
Docking and molecular dynamics were used to predict binding modes to PARP-1.
In vitro cytotoxicity assays were conducted on HCT-116, U87, HeLa, and A549 cell lines.
In vivo studies were performed using A549 and HCT-116 xenograft models to assess tumor growth inhibition.
The compound showed IC50 values of 14.12, 33.52, 44.60, and 26.4 µM against various cell lines.
In vitro genotoxicity assays revealed dose-dependent DNA damage in HCT-116 cells.
In vivo, the compound inhibited tumor growth by up to 75.1% in A549 xenografts and showed up to 82.9% tumor growth inhibition at a specific dose in HCT-116 xenografts.

A compound demonstrates dose-dependent anticancer effects in multiple cell lines, indicating promising therapeutic potential.

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Chernov et al. (2026) studied this question.

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