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双(2-羟基-3-羧基苯基)甲烷及其镍(II)配合物的表征与细胞毒性评估

Characterization and Cytotoxic Assessment of Bis(2-hydroxy-3-carboxyphenyl)methane and Its Nickel(II) Complex.

作者信息

Ahmed Ayman H, Althobaiti Ibrahim O, Alenezy Ebtsam K, Asiri Yazeed M, Ghalab Sobhy, Hussein Omar A

机构信息

Department of Chemistry, College of Science, Jouf University, Sakaka 72341, Saudi Arabia.

Department of Chemistry, Faculty of Science, Islamic University of Madinah, Madinah 42351, Saudi Arabia.

出版信息

Molecules. 2024 Sep 6;29(17):4239. doi: 10.3390/molecules29174239.

Abstract

A condensation reaction of salicylic acid with formaldehyde in the presence of sulfuric acid led to the synthesization of the bis(2-hydroxy-3-carboxyphenyl)methane (BHCM) ligand, which was subsequently allowed to bind with nickel (II) ions. In light of the information obtained from the elemental analyses (C, H, and M), spectral (IR, MS, H-NMR, and UV-Vis) and thermal and magnetic measurements, the most likely structures of the ligand and complex have been identified. It has been suggested that the BHCM coordinates in a tetradentate manner with two Ni(II) ions to produce an octahedral binuclear complex. The SEM and TEM morphology of the compounds showed spherical shapes. An X-ray diffraction analysis indicated a considerable difference in the diffraction patterns between BHCM (crystalline) and Ni-BHCM (amorphous), and the Scherrer equation was used to calculate the crystallite size. Some optical characteristics were estimated from UV-Vis spectra. The ligand and its nickel(II) complex underlie the range of semiconductors. It was verified that for human lung (A-549) cancer, the BHCM compound displayed a significant barrier to the proliferation test in noncancerous cells (human lung fibroblasts, WI-38), which was also undertaken. To demonstrate the binding affinities of the chosen compounds (BHCM and Ni-BHCM) in the receptor protein's active site [PDB ID: 5CAO], a molecular docking (MD) study was carried out.

摘要

在硫酸存在下,水杨酸与甲醛发生缩合反应,合成了双(2-羟基-3-羧基苯基)甲烷(BHCM)配体,随后使其与镍(II)离子结合。根据元素分析(碳、氢和金属)、光谱分析(红外光谱、质谱、氢核磁共振谱和紫外可见光谱)以及热学和磁学测量获得的信息,确定了配体和配合物最可能的结构。有人提出,BHCM以四齿方式与两个镍(II)离子配位,形成八面体双核配合物。化合物的扫描电子显微镜(SEM)和透射电子显微镜(TEM)形态显示为球形。X射线衍射分析表明,BHCM(晶体)和镍-BHCM(非晶体)的衍射图谱存在显著差异,并使用谢乐方程计算微晶尺寸。从紫外可见光谱估计了一些光学特性。该配体及其镍(II)配合物属于半导体范围。经证实,对于人肺癌(A-549),BHCM化合物在非癌细胞(人肺成纤维细胞,WI-38)的增殖试验中显示出显著的抑制作用,该试验也已进行。为了证明所选化合物(BHCM和镍-BHCM)在受体蛋白活性位点[PDB ID:5CAO]中的结合亲和力,进行了分子对接(MD)研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4a3/11397195/72eddc1d7d27/molecules-29-04239-sch001.jpg

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