Kaur Manpreet, Sood Kritika, Yempally Veeranna, Kaur Harminder
Chemistry Department, Akal University, Talwandi Sabo, Bathinda, India.
Applied Sciences Department, Punjab Engineering College(Deemed to Be University), Chandigarh, India.
J Fluoresc. 2025 Feb 1. doi: 10.1007/s10895-025-04146-9.
Present work deals with the synthesis, characterization and biological investigation of Schiff base ((E)N'(2,3-dihydroxybenzylidene)isonicotinohydrazide (L)) and its diorganotin(IV) complexes (RSnL, diphenyltin(IV) complex R = Ph (1), dimethyltin(IV) complex R = Me(2))by experimental and theoretical approach. All the complexes were characterized by spectroscopic techniques including FTIR, multinuclear NMR and theoretical studies. Theoretical calculations were carried out using Gaussian 09 software which also supports the experimental analysis. Molecular docking studies using Autodock software were carried out to predict the binding pose and affinity of the complexes towards particular proteins. DNA binding studies by UV titrations and in-silico studies showed the superior binding of diphenyltin(IV) complex (1) and dimethyltin(IV) complex (2) in an intercalative mode. In- vitro cytotoxicity analysis of L and its complexes (1, 2) was carried out against two cancer cell lines using MTT assay. Diphenyltin(IV) complex (1) was more potent and cytotoxic against studied cancer cell lines i.e.C6 Glioblastoma cells and SH-SY5Y Neuroblastoma cells.
目前的工作通过实验和理论方法研究了席夫碱((E)N'(2,3 - 二羟基亚苄基)异烟酰肼 (L))及其二有机锡(IV)配合物(RSnL,二苯基锡(IV)配合物R = Ph (1),二甲基锡(IV)配合物R = Me(2))的合成、表征及生物学研究。所有配合物均通过包括傅里叶变换红外光谱(FTIR)、多核核磁共振(NMR)在内的光谱技术以及理论研究进行表征。使用高斯09软件进行理论计算,该软件也支持实验分析。使用Autodock软件进行分子对接研究,以预测配合物对特定蛋白质的结合构象和亲和力。通过紫外滴定法进行的DNA结合研究和计算机模拟研究表明,二苯基锡(IV)配合物(1)和二甲基锡(IV)配合物(2)以插入模式具有更强的结合能力。使用MTT法对L及其配合物(1, 2)针对两种癌细胞系进行了体外细胞毒性分析。二苯基锡(IV)配合物(1)对所研究的癌细胞系即C6胶质母细胞瘤细胞和SH - SY5Y神经母细胞瘤细胞更具活性和细胞毒性。