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新型钌(II)多吡啶配合物的合成、光谱性质及 DFT 计算;DNA 结合亲和力和体外细胞毒性活性。

Synthesis, Spectral Properties and DFT Calculations of new Ruthenium (II) Polypyridyl Complexes; DNA Binding Affinity and in Vitro Cytotoxicity Activity.

机构信息

Department of Chemistry, Osmania University, Hyderabad, Telangana State, 500007, India.

Department of Biochemistry, Osmania University, Hyderabad, Telangana State, 500007, India.

出版信息

J Fluoresc. 2017 Jul;27(4):1513-1530. doi: 10.1007/s10895-017-2091-5. Epub 2017 Apr 22.

DOI:10.1007/s10895-017-2091-5
PMID:28432633
Abstract

In this paper a novel ligand debip (2-(4-N,N-diethylbenzenamine)1H-imidazo[4,5-f] [1, 10]phenanthroline) and its Ru(II) polypyridyl complexes [Ru(L)(debip)], (L = phen (1), bpy (2) and dmb (3)) have been synthesized and characterized by spectroscopic techniques. The DNA binding studies for all these complexes were examined by absorption, emission, quenching studies, viscosity measurements and cyclic voltammetry. The light switching properties of complexes 1-3 have been evaluated. Molecular docking, Density Functional Theory (DFT) and time dependent DFT calculations were performed. The Ru(II) complexes exhibited efficient photocleavage activity against pBR322 DNA upon irradiation and exhibited good antimicrobial activity. Also investigated 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) reduction assay, lactate dehydrogenase (LDH) release assay and reactive oxygen species (ROS) against selected cancer cell lines (HeLa, PC3, Lancap, MCF-7 and MD-MBA 231).

摘要

本文合成了一种新型配体 debip(2-(4-N,N-二乙基苯甲胺)1H-咪唑并[4,5-f] [1,10]菲咯啉)及其 Ru(II) 多吡啶配合物[Ru(L)(debip)](L=phen(1)、bpy(2)和 dmb(3)),并用光谱技术进行了表征。通过吸收、发射、猝灭研究、粘度测量和循环伏安法研究了所有这些配合物的 DNA 结合研究。评估了配合物 1-3 的光开关特性。进行了分子对接、密度泛函理论(DFT)和时间相关 DFT 计算。Ru(II) 配合物在光照下对 pBR322 DNA 表现出有效的光解活性,并表现出良好的抗菌活性。还研究了 3-(4,5-二甲基噻唑-2-基)-2,5-二苯基四氮唑溴盐(MTT)还原测定、乳酸脱氢酶(LDH)释放测定和选定癌细胞系(HeLa、PC3、Lancap、MCF-7 和 MD-MBA 231)中的活性氧(ROS)。

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