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Two new complexes, [Ho(L)2NO3]n (1) and [Co(L′)2Cl4]n (2) (HL = 3,5‐bis(triazol‐1‐yl)benzoic acid, HL′ = 2,4‐bis(triazol‐1‐yl)benzoic acid), have been synthesized and characterized. Interactions with DNA through absorption titration experiments, fluorescence spectra, viscosity measurements and a molecular docking study were examined. The results suggested that complexes 1 and 2 interact with DNA in a partial intercalation mode. DNA binding affinity was determined using kb values, which indicated that the binding activity of the complexes to DNA was complex 2 (kb = 1.93 × 104) > complex 1 (kb = 1.06 × 104). Gel electrophoresis assay demonstrated that the complexes have the ability to cleave pBR322 DNA. Apoptotic assay indicated that the complexes can induce programmed death of Hela cells (human cervix carcinoma cells). A cytotoxicity study indicated that complex 2 shows a greater inhibitory rate of Hela cells than complex 1 and the cytotoxicity of both 1 and 2 showed time dependence. Especially, the efficacy of complex 2 was shown to be higher than that of cisplatin at 72 h. We have synthesized and characterized complexes 1‐2, the spectroscopy methods showed that complexes 1 and 2 interaction with DNA in a partial intercalation mode and this result was further verified by docking study. The flow cytometry and morphological analysis showed that the two complexes exhibited apoptosis activity. [ABSTRACT FROM AUTHOR]