Molecular insights into triazole-based compounds for triple-negative breast cancer treatment

Abstract

Abstract Triple-negative breast cancer (TNBC) is an aggressive breast cancer subtype lacking oestrogen, progesterone, and HER2 receptors, thus limiting the effectiveness of targeted therapies. Triazole compounds have emerged as promising anticancer agents because of their structural versatility, chemical stability, and ability to interact with multiple biological targets. This review summarises the chemistry, biological significance, and therapeutic potential of triazole derivatives against TNBC. It highlights key anticancer mechanisms, including apoptosis induction, cell cycle arrest, inhibition of angiogenesis and metastasis, and modulation of major oncogenic signalling pathways. The review also compares synthetic and naturally derived triazole compounds, emphasising structure–activity relationships and evidence from preclinical studies. In addition, it discusses the contribution of computational approaches, including molecular docking, virtual screening, and predictive modelling, to accelerate triazole-based drug discovery. Overall, this review underscores the potential of triazole pharmacophores as effective therapeutic candidates for TNBC and provides directions for future research to overcome therapeutic resistance.