Institute of Chemistry, Jan Kochanowski University of Kielce, 7 Uniwersytecka Str., 25-406 Kielce, Poland.
Faculty of Chemistry, Jagiellonian University, 2 Gronostajowa Str., 30-387 Kraków, Poland.
Molecules. 2022 Dec 21;28(1):40. doi: 10.3390/molecules28010040.
Half-sandwich Ru(II) complexes belong to group of biologically active metallo-compounds with promising antimicrobial and anticancer activity. Herein, we report the synthesis and characterization of arene ruthenium complexes containing benzimidazole moiety, namely, [(η--cymene)RuCl(bimCOO)] () and [(η--cymene)RuCl(bim)] () (where bimCOO = benzimidazole-2-carboxylate and bim = 1--benzimidazole). The compounds were characterized by H NMR, C NMR, IR, UV-vis and CV. Molecular structures of the complexes were determined by SC-XRD analysis, and the results indicated the presence of a -tetrahedral (piano stool) geometry. Interactions in the crystals of the Ru complexes using the Hirshfeld surface analysis were also examined. In addition, the biological studies of the complexes, such as antimicrobial assays (against planktonic and adherent microbes), cytotoxicity and lipophilicity, were performed. Antibacterial activity of the complexes was evaluated against , , PAO1 and LES B58. Cytotoxic activity was tested against primary human fibroblasts and adenocarcinoma human alveolar basal epithelial cells. Obtained biological results show that the ruthenium compounds have bacteriostatic activity toward PAO1 strain and are not toxic to normal cells. A molecular docking study was applied as a predictive source of information about the plausibility of examined structures binding with HSA as a transporting system.
夹心 Ru(II) 配合物属于具有潜在抗菌和抗癌活性的生物活性金属配合物。在此,我们报告了含有苯并咪唑部分的芳基钌配合物的合成和表征,即[(η- 1,3,5-三甲基环戊二烯)RuCl(bimCOO)] ()和[(η- 1,3,5-三甲基环戊二烯)RuCl(bim)] ()(其中 bimCOO =苯并咪唑-2-羧酸酯和 bim = 1-苯并咪唑)。这些化合物通过 1 H NMR、 13 C NMR、IR、UV-vis 和 CV 进行了表征。通过 SC-XRD 分析确定了配合物的分子结构,结果表明存在一个 -四面体(钢琴凳)几何形状。还使用 Hirshfeld 表面分析检查了 Ru 配合物晶体中的相互作用。此外,还进行了配合物的生物学研究,如抗菌测定(针对浮游和附着微生物)、细胞毒性和脂溶性。评估了配合物对 PAO1 和 LES B58 的抗菌活性。细胞毒性测试针对原代人成纤维细胞和人腺癌细胞肺泡基底上皮细胞进行。获得的生物学结果表明,钌化合物对 PAO1 菌株具有抑菌活性,对正常细胞没有毒性。还应用了分子对接研究作为一种预测信息源,用于研究所研究结构与 HSA 结合作为转运系统的可能性。