我们在此报告了三种新的二价钌配合物，[Ru(DPEPhos)(mtz)(bipy)]PF6(Ru1)，[Ru(DPEPhos)(mmi)(bipy)]PF6(Ru2)和[Ru(DPEPhos)(dmp)(bipy)]PF6(Ru3)。其中，DPEPhos=双[（2-二苯基膦基）苯基]醚，mtz=2-硫代-2-噻唑啉，mmi=2-硫代-1-甲基咪唑，dmp=4,6-二氨基-2-硫代嘧啶，bipy=2,2'-联吡啶。我们使用多种光谱技术对这些化合物进行了表征，并通过单晶X射线衍射测定了Ru1配合物的分子结构。我们通过MTT试验测试了Ru1-Ru3配合物对A549（人类肺癌）和MDA-MB-231（人类乳腺癌）癌细胞系及MRC-5（非肿瘤肺）和MCF-10A（非肿瘤乳腺）细胞系的细胞毒性。所有三个配合物都对所研究的细胞系具有细胞毒性，IC50值低于顺铂的发现值。其中，Ru2配合物在MDA-MB-231癌细胞系中表现出最佳的选择性，其IC50值比MCF-10A低12倍。Ru2配合物能够导致MDA-MB-231细胞形态的改变，失去细胞黏附，抑制集落形成，并引起细胞在亚G1期的积累，S期增加，G2期细胞数量减少。Ru1-Ru3配合物与小牛胸腺DNA（CT-DNA）的黏度、电化学和Hoechst 33258置换实验显示出静电和沟槽结合模式的相互作用。此外，这些配合物通过静态机制与人血清白蛋白（HSA）相互作用。ΔH和ΔS的负值表明配合物和HSA之间可能发生范德华力和氢键作用。因此，这类配合物是有前途的抗癌候选物，并且可以选中进行更加详细的研究。 版权所有 © 2023 Elsevier Inc.

We report here on three new ruthenium(II) complexes, [Ru(DPEPhos)(mtz)(bipy)]PF6 (Ru1), [Ru(DPEPhos)(mmi)(bipy)]PF6 (Ru2) and [Ru(DPEPhos)(dmp)(bipy)]PF6 (Ru3). DPEPhos = bis-[(2-diphenylphosphino)phenyl]ether, mtz = 2-mercapto-2-thiazoline, mmi = 2-mercapto-1-methylimidazole, dmp = 4,6-diamino-2-mercaptopyrimidine and bipy = 2,2'-bipyridine. The compounds were characterized by several spectroscopic techniques, and the molecular structure of Ru1 complex was determined by single-crystal X-ray diffraction. The cytotoxicity of Ru1 - Ru3 complexes were tested against the A549 (human lung) and the MDA-MB-231 (human breast) cancer cell lines and against MRC-5 (non-tumor lung) and MCF-10A (non-tumor breast) cell lines through the MTT assay. All three complexes are cytotoxic against the cell lines studied, with IC50 values lower than those found for the cisplatin. Among them, the Ru2 complex has shown the best selectivity against MDA-MB-231 cancer cell lines, with an IC50 value 12 times lower than that on MCF-10A. The complex Ru2 was capable to induce changes in MDA-MB-231 cells morphology, with loss of cellular adhesion, inhibited colony formation and induce an accumulation of cells at the sub-G1 phase, with an increase in S-phase and decrease of cells at G2 phase. Viscosity, electrochemical and Hoechst 33258 displacement experiments for Ru1 - Ru3 complexes with calf thymus DNA (CT-DNA) showed an electrostatic and groove binding mode of interaction. Additionally, the complexes interact with the protein Human Serum Albumin (HSA) by static mechanism. The negative values for ΔH and ΔS indicate that van der Waals forces and hydrogen bonding may occurs between the complexes and HSA. Therefore, this class of complexes are promising anticancer candidates and may be selected to further detailed studies.Copyright © 2023 Elsevier Inc. All rights reserved.