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新型六核 Zn(II) 配合物的抗癌、抗氧化和抗菌研究及分子对接及其 X 射线晶体分析。

Anticancer, antioxidant, and antimicrobial studies and molecular docking of a new hexanuclear Zn(II) complex, together with its X-ray crystal analysis.

机构信息

Faculty of Chemistry, Bu-Ali Sina University, 65174 Hamedan, Iran.

Department of Biotechnology, College of Science, University of Tehran, Tehran, Iran.

出版信息

Dalton Trans. 2024 Mar 5;53(10):4512-4525. doi: 10.1039/d3dt03327a.

DOI:10.1039/d3dt03327a
PMID:38348683
Abstract

A new hexanuclear Zn(II) complex with the ligand 2,2'-(piperazine-1,4-diyl)bis(ethan-1-amine), [LZn(OH)][ClO]·3MeOH·7HO, was synthesized. The crystal structure of this complex showed that each Zn atom is in a distorted tetrahedral coordination environment, surrounded by two nitrogen atoms from each ligand and two hydroxide groups, each of which bridges to another Zn atom. The anticancer activities of the ligand and its metal complex against the breast cancer cell line (MCF-7) indicated that the zinc complex had a greater anticancer activity. The free ligand and its metal complex were evaluated for antioxidant activity using the DPPH scavenging method. In addition, the antibacterial activities of both compounds were screened against Gram-positive () and Gram-negative () bacteria. The interaction of these compounds with DNA and AChE was also investigated using molecular docking.

摘要

一种新型六核锌(II)配合物,配体为 2,2'-(哌嗪-1,4-二基)双(乙二胺),[LZn(OH)][ClO]·3MeOH·7HO,被合成出来。该配合物的晶体结构表明,每个 Zn 原子处于扭曲的四面体型配位环境中,被来自每个配体的两个氮原子和两个氢氧根基团包围,每个氢氧根基团都桥接到另一个 Zn 原子上。配体及其金属配合物对乳腺癌细胞系(MCF-7)的抗癌活性表明,锌配合物具有更强的抗癌活性。使用 DPPH 清除法评估了游离配体及其金属配合物的抗氧化活性。此外,还对这两种化合物的革兰氏阳性()和革兰氏阴性()细菌的抗菌活性进行了筛选。还使用分子对接研究了这些化合物与 DNA 和 AChE 的相互作用。

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