A series of Pd( ii ) and Cu( ii ) complexes bearing N -aryl fluorinated O -glycoconjugate Schiff base ligands were synthesized and fully characterized, and their potential anticancer activities were explored.

Four new arene–ruthenium(II) complexes [(η⁶-p-cymene)RuCl(dpm)], where dpm are hexa-(L3–L5) and meso-substituted (L6) dipyrromethene ligands, were synthesized. These ligands and the corresponding complexes were thoroughly characterized by elemental analysis and spectroscopic techniques (MS, IR, ¹H, ¹³C NMR, and UV–vis), and the structures of one ligand and three ruthenium complexes were determined by X-ray single-crystal analysis. The DNA-binding ability of the Ru-3–Ru-6 complexes was evaluated by UV–vis DNA titration. Compound Ru-3 exhibited the highest binding energy, outperforming the complexes containing a dipyrrin ligand substituted by chlorides (Ru-4 and Ru-5) or a meso-substituted dipyrrin (Ru-6). Molecular docking revealed that the hypothetical Ru-1 and Ru-2 complexes, which contain iodide ligands in the dipyrrin structures, showed higher DNA-binding affinities than Ru-3. Computational calculations supported the experimental results, confirming that Ru-3 has a higher affinity for DNA than the other complexes.

A series of benzo [d] [1,3] azoles 2-substituted with benzyl- and allyl-sulfanyl groups were synthesized, and their cytotoxic activities were in vitro evaluated against a panel of six human cancer cell lines. The results showed that compounds BTA-1 and BMZ-2 have the best inhibitory effects, compound BMZ-2 being comparable in some cases with the reference drug tamoxifen and exhibiting a low cytotoxic effect against healthy cells. In silico molecular coupling studies at the tamoxifen binding site of ERα and GPER receptors revealed affinity and the possible mode of interaction of both compounds BTA-1 and BMZ-2.

Three new POCOP-Ni( ii ) pincer complexes including methylphthalimide were obtained & their cytotoxic activity explored on six cancer cell lines. Ethidium bromide displacement & molecular docking studies showed these complexes to intercalate with DNA.

Six new POCOP-Ni( ii ) pincer complexes were synthesized and evaluated in vitro and in silico against six cancerous cell lines, highlighting the effect of the morpholino- s -triazine moiety.

Iminophosphine ligands find extensive applications in homogeneous catalysis; however, their potential antitumor activity is currently being explored. Including biologically active moieties, such as aminoalcohols, could enhance this activity further. Therefore, we have synthesised a novel series of Pd(II) and Pt(II) iminophosphine complexes incorporating aminoalcohols as biologically active moieties to explore the potential of enhancing this activity. The series of Pd(II) complexes includes complexes 2a, 2f, and 2h, which were previously reported by our research group as catalysts in Suzuki–Miyaura cross-coupling reaction in aqueous media. Besides their complete characterisation, some structures have been unequivocally corroborated by single-crystal X-ray diffraction (SC-XRD). To evaluate the cytotoxic potential of the complexes, a preliminary in vitro study was conducted on different cancerous cell lines, including using COS-7 cells as a healthy cell line. Notably, complexes 2e, 2f, and 3b exhibited selectivity towards human chronic myelogenous leukaemia (K562), demonstrating IC₅₀ values of 7.73 ± 1.4 µM, 8.53 ± 1.9 µM, and 8.83 ± 1.5 µM, respectively. Remarkably, the selectivity of these complexes surpassed that of cisplatin. Furthermore, in silico analysis indicated a higher binding energy of these complexes to DNA when compared to cisplatin.