A series of N-dibenzosuberene substituted aroyl selenourea ligands L1–L3 and their Ru(II) (η⁶-p-cymene) complexes 1–3, [Ru(II) (η⁶-p-cymene) L] (L = monodentate aroyl selenourea ligand) were synthesized and characterized. The molecular structures of the ligand L3 and complex 3 were confirmed by single-crystal XRD method. The single-crystal XRD study results revealed that aroyl selenourea ligand coordinates with ruthenium via Se neutral monodentate atom. In vitro DNA interaction studies were investigated by UV–Visible and fluorescence spectroscopic methods which showed that the intercalative mode of binding is in the order of 3 > 2 > 1 with the Ru(II) (η⁶-p-cymene) complexes. The binding affinity of the bovine serum albumin with complexes was calculated using spectroscopic methods. Quantum chemical computations were made using DFT (density functional theory), BL3YP; LANL2DZ basis set in order to determine the frontier molecular orbital parameters and MESP for the newly synthesized complexes. The complexes 1–3 have shown intensive cytotoxicity against the cancer lines HepG-2 and A549 under in vitro conditions. Complex 3 (IC₅₀ = 62 μM) has shown significant cytotoxic activity against HepG-2 compared to cisplatin standard drug. The complexes also examined for their antimicrobial activity. The complex 2 exhibited good activity against B. subtilis (MIC: 13.60 μg/mL), E. coli (MIC: 8.01 μg/mL) and A. flavus (MIC = 15.60 μg/mL), respectively, compared to reference drugs Streptomycin and Ketoconazole.

一系列Ñ -dibenzosuberene取代芳酰基硒脲配位体L1 - L3和它们的Ru（II）（η ⁶ - p -cymene）配合物1 - 3，的[Ru（II）（η ⁶ - p -cymene）L]（L =合成并表征了单齿芳酰基硒脲配体）。配体L3和配合物3的分子结构通过单晶XRD法确认。X射线单晶研究结果表明，芳族硒基配体通过Se中性单齿原子与钌配位。体外DNA相互作用研究是由紫外-可见和荧光光谱方法这表明结合的插入方式是在顺序调查3  >  2  >  1与钌（II）（η ⁶ - p-cymene）复合物。使用光谱法计算牛血清白蛋白与复合物的结合亲和力。量子化学计算使用DFT（密度泛函理论）BL3YP进行。LANL2DZ基础集是为了确定新合成复合物的前沿分子轨道参数和MESP。配合物1 - 3已在体外条件下示出针对癌系人肝癌HepG-2和A549密集的细胞毒性。 与顺铂标准药物相比，复合物3（IC ₅₀ = 62μM）对HepG-2具有明显的细胞毒活性。该复合物还检查了其抗菌活性。配合物2对B表现出良好的活性。与参考药物链霉素和酮康唑相比，枯草杆菌（MIC：13.60μg/ mL），大肠杆菌（MIC：8.01μg/ mL）和黄曲霉（MIC = 15.60μg/ mL）。