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首页> 外文期刊>RSC Advances >Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction
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Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction

机译：Zn（II）复合物与2-喹啉核羧醛硒赤霉素：合成，结构，与DNA / HSA的相互作用研究，分子对接和Caspase-8和-9独立临床诱导

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摘要

A new Zn(II)-based potential chemotherapeutic agent was synthesized from the ligand 2-quinolinecarboxaldehyde selenosemicarbazone (Hqasesc). Single crystal X-ray diffraction analysis showed that the Zn(II) complex consists of a cation [Zn(Hqasesc)(2)](2+), two perchlorate anions and one ethanol solvent molecule. The interaction of calf thymus (CT) DNA and human serum albumin (HSA) with the Zn(II) complex was explored using absorption and emission spectral methods, and also has been supported by molecular docking studies. The complex has more affinity to minor DNA groove than major, with no significant intercalation. The HSA interaction studies of the complex revealed the quenching of the intrinsic fluorescence of the HSA through a static quenching mechanism. The antitumor activity of the ligand and the complex against pancreatic adenocarcinoma cell line (AsPC-1) and acute monocytic leukemia (THP-1) cells was evaluated. Both compounds are strong concentration-dependent apoptosis inducers in THP-1 cells. While Hqasesc in AsPC-1 cells induces apoptosis only at the highest concentration, treatment with the Zn complex shows a concentration-dependent apoptotic response, where the treated cells are arrested in the G1-to-S phase accompanied with extensive activation of caspase-8 and -9. These results indicate that the ligand and Zn(II) complex display cell phenotype specific activity.
机译：从配体2-喹啉核羧苯甲醛（HQASESC）中合成了新的Zn（II）的潜在化学治疗剂。单晶X射线衍射分析表明，Zn（II）复合物由阳离子[Zn（HQASESC）（2）]（2+），两种高氯酸盐阴离子和一种乙醇溶剂分子组成。使用吸收和发射光谱方法探索小牛胸腺（CT）DNA和人血清白蛋白（HSA）与Zn（II）复合物的相互作用，并通过分子对接研究支持。该综合体对次要DNA沟槽具有比主要的亲和力更为亲和力，没有显着的插入。复合物的HSA相互作用研究揭示了通过静态猝灭机构猝灭HSA的内在荧光。评价配体的抗肿瘤活性和抗胰腺腺癌细胞系（ASPC-1）和急性单核细胞白血病（THP-1）细胞的复合物。两种化合物在THP-1细胞中是强浓度依赖性凋亡诱导剂。虽然ASPC-1细胞中的HQASESC仅在最高浓度下诱导细胞凋亡，但是用Zn络合物的处理显示浓度依赖性凋亡反应，其中处理过的细胞在G1-S期被捕，伴随着Caspase-8的广泛活化。和-9。这些结果表明配体和Zn（II）复合显示细胞表型特异性活性。

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