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新型含对取代苄基硫代氨基脲席夫碱的钌(III)2,6-双(2-苯并咪唑基)吡啶配合物:合成、表征、DNA结合及抗癌活性

New Ru(III) 2,6-Bis(2-Benzimidazolyl)Pyridine Complexes Bearing P-Sub-Benzyl Thiosemicarbazones Schiff Base: Synthesis, Characterization, DNA Binding and Anti-cancer Activity.

作者信息

Singh Ashok K, Singh Ravindra K, Pandav Kumud, Bano Swaila, Arshi Farha, Kumar Amarendra, Kumar Singh Sudheer, Chandra Ramesh

机构信息

Department of Chemistry, Faculty of Science, University of Lucknow, Babuganj, Hasanganj, Lucknow, 226007, Uttar Pradesh, India.

Department of Chemistry, Indian Institute of Technology, Roorkee, 247667, Uttarakhand, India.

出版信息

Chem Asian J. 2025 Apr 17;20(8):e202500059. doi: 10.1002/asia.202500059. Epub 2025 Feb 12.

Abstract

The six mononuclear Schiff's base Ru(III) complexes viz., [Ru(BZP)(LA)].2NO (MRA), [Ru(BZP)(LB)].2NO (MRB), [Ru(BZP))(LC)].2NO (MRC), [Ru(BZP))(LD)].2NO (MRD), [Ru(BZP)(LE)].2NO (MRE) and [Ru(BZP)(LF)].2NO (MRF), were synthesized using of (BZP=2,6-bis(2-benzimidazolyl)pyridine and p-sub-benzylthiosemicarbazones (BTS) [(Sub=4-NO (LA), 4-N(CH) (LB), 4-Cl (LC), 4-OCH (LD), 4-OCHPh (LE), and 4-OH (LF)] as an ancillary ligands. The thiosemicarbazones ligands (LA-LF) were obtained by the condensation of p-substituted benzaldehyde and thiosemicarbazide. These complexes were characterized by elemental analysis, IR, ESR, ESI-MS, electronic absorption spectroscopy. The geometry was optimized by theoretical calculation using DFT and structure reveals that MRA-MRF adopt octahedral geometry. Further, the complexes were examined for anti-cancer against Leukemia cancer cell line K562 and shown significant responses to these cells. Moreover, DNA binding studies were conducted with all complexes MRA-MRF and the binding constant (K) were found i.e., 1.10×10, 1.54×10, 2.87×10, 1.67×10, 1.98×10 and 1.59×10, respectively. It was found that DNA binds in intercalation mode which is also validated by the docking studies.

摘要

六种单核席夫碱钌(III)配合物,即[Ru(BZP)(LA)].2NO(MRA)、[Ru(BZP)(LB)].2NO(MRB)、[Ru(BZP)(LC)].2NO(MRC)、[Ru(BZP)(LD)].2NO(MRD)、[Ru(BZP)(LE)].2NO(MRE)和[Ru(BZP)(LF)].2NO(MRF),是使用(BZP = 2,6 - 双(2 - 苯并咪唑基)吡啶)和对 - 取代苄基硫代氨基脲(BTS)[(取代基 = 4 - NO(LA)、4 - N(CH)(LB)、4 - Cl(LC)、4 - OCH(LD)、4 - OCHPh(LE)和4 - OH(LF)]作为辅助配体合成的。硫代氨基脲配体(LA - LF)通过对 - 取代苯甲醛与硫代氨基脲缩合得到。这些配合物通过元素分析、红外光谱、电子顺磁共振、电喷雾电离质谱、电子吸收光谱进行表征。通过使用密度泛函理论(DFT)的理论计算优化几何结构,结构表明MRA - MRF采用八面体几何结构。此外,研究了这些配合物对白血病癌细胞系K562的抗癌活性,并显示出对这些细胞有显著反应。此外,对所有配合物MRA - MRF进行了DNA结合研究,发现结合常数(K)分别为1.10×10、1.54×10、2.87×10、1.67×第十、1.98×10和1.59×10。发现DNA以插入模式结合,对接研究也证实了这一点。 (注:原文中“1.67×第十”表述有误,可能是“1.67×10”,译文按此修正)

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