4.6 Article

Synthesis, structural characterization, docking simulation and in vitro antiproliferative activity of the new gold(III) complex with 2-pyridineethanol

期刊

JOURNAL OF INORGANIC BIOCHEMISTRY
卷 215, 期 -, 页码 -

出版社

ELSEVIER SCIENCE INC
DOI: 10.1016/j.jinorgbio.2020.111311

关键词

Gold(III) complex; FT-IR and Raman spectra; In vitro antiproliferative activity; Modeling docking simulation; Interacts with HSA and DNA

资金

  1. Polish Ministry of Science and Higher Education for the Faculty of Chemistry, Wroclaw University of Science and Technology
  2. Polish National Science Centre [2016/23/D/ST5/00269]
  3. Ministry of Science and Higher Education [1233/M/WCH/13, 1500/M/WCH/15]

向作者/读者索取更多资源

The synthesis and characterization of a gold(III) complex containing 2-pyridineethanol, as well as its anti-cancer properties in various cell lines, have been investigated in this study. The complex showed significant cytotoxicity against A549 and MCF-7 cells, comparable to the reference drug cisplatin. Docking simulations suggested that the complex exerts anticancer effects through different mechanisms of action compared to cisplatin.
Gold(III) complex containing 2-pyridineethanol has been synthesized and characterized structurally by single crystal X-ray diffraction, vibrational spectroscopy, H-1 NMR spectroscopy, electrochemical study, and DFT calculations. The Au(III) ion is four coordinated with one N-donor ligand (L) and three Cl anions. The Okuniewski's (tau'4(=)0.018) has been used to estimate the angular distortion from ideal square planar geometry. The vibrational spectroscopy studies, in the solid state and DMSO solution and cyclic voltammetry, have been performed to determine its stability and redox activity, respectively. A complete assignment of the IR and Raman spectra has been made based on the calculated potential energy distribution (PED). The theoretical calculations have been made for two functionals and several basis sets. The compound has been evaluated for its antiproliferative properties in a human lung adenocarcinoma cell line (A549), mouse colon carcinoma (CT26), human breast adenocarcinoma (MCF-7), human prostate carcinoma derived from the metastatic site in the brain (DU-145), and PANC-1 human pancreas/duct carcinoma cell line and non-tumorigenic cell lines: HaCat (human keratinocyte), and HEK293T (human embryonic kidney). Au(III) complex cytotoxicity is significantly against A549 and MCF-7 cells as in the reference drug: cisplatin. Studies of the interactions of Au(III) complex with DNA, HSA (human serum albumin) have been performed. The results from modeling docking simulations indicate that the title complex exerts anticancer effects in vitro based on different mechanisms of action to compare with cisplatin.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据