Herein we report on the synthesis and molecular structures of six silver(I) mixed-ligand complexes containing a heterocyclic thioamide [4-phenyl-imidazole-2-thione (phimtH) or 2,2,5,5-tetramethyl-imidazolidine-4-thione (tmimdtH)] and a tertiary arylphosphane [triphenylphosphine (PPh₃), tri-o-tolylphosphane (totp)] or diphosphane [(1,2-bis(diphenylphosphano)ethane (dppe), bis(2-diphenylphosphano-phenyl)ether (DPEphos) or 4,5-bis(diphenylphosphano)-9,9-dimethylxanthene) (xantphos)]. The interaction of the compounds with calf-thymus DNA (CT DNA), as monitored directly via UV–vis spectroscopy and DNA-viscosity measurements and indirectly via its competition with ethidium bromide for DNA-intercalation sites, is suggested to take place via an intercalative mode. The new complexes show selective significant in vitro antibacterial activity against four bacterial strains. The antiproliferative effects and cytostatic efficacies of the complexes against four human cancer cell lines were evaluated. The best cytostatic and cytotoxic activity was appeared for the complexes bearing the phimtH moiety. In order to explain the described in vitro activity of the complexes, and to approach a possible mechanism of action, molecular docking studies were adopted on the crystal structure of CT DNA, DNA-gyrase, human estrogen receptor alpha and a cell-cycle specific target protein, human cyclin-dependent kinase 6.

在此，我们报告了六种含杂环硫代酰胺 [4-苯基-咪唑-2-硫酮 (phimtH) 或 2,2,5,5-四甲基-咪唑烷-4 的银 (I) 混合配体配合物的合成和分子结构-硫酮 (tmimdtH)] 和叔芳基膦 [三苯基膦 (PPh ₃ )、三-邻甲苯基膦 (totp)] 或二膦 [(1,2-双(二苯基膦基)乙烷 (dppe)、双(2-二苯基膦基-苯基) )醚 (DPEphos) 或 4,5-双(二苯基膦)-9,9-二甲基呫吨) (xantphos)]。化合物与小牛胸腺 DNA (CT DNA) 的相互作用，通过紫外可见光谱和 DNA 粘度测量直接监测，并通过其与溴化乙锭竞争 DNA 嵌入位点间接监测，建议通过一种插入模式。新复合物对四种细菌菌株显示出选择性显着的体外抗菌活性。评估了复合物对四种人类癌细胞系的抗增殖作用和细胞抑制作用。带有phimtH部分的复合物出现了最好的细胞抑制和细胞毒活性。为了解释所描述的复合物的体外活性，并接近可能的作用机制，对 CT DNA、DNA 促旋酶、人雌激素受体 α 和细胞周期特异性靶标的晶体结构进行了分子对接研究蛋白质，人细胞周期蛋白依赖性激酶 6.