Khalaf Mai M, Abd El-Lateef Hany M, Gouda Mohamed, Sayed Fatma N, Mohamed Gehad G, Abu-Dief Ahmed M
Department of Chemistry, College of Science, King Faisal University, Al-Ahsa 31982, Saudi Arabia.
Department of Chemistry, Faculty of Science, Sohag University, Sohag 82534, Egypt.
Materials (Basel). 2022 Jul 12;15(14):4842. doi: 10.3390/ma15144842.
Some novel imine metal chelates with Cr, Mn, Fe, Co, Ni, Cu, Zn, and Cd cations were produced from 2-acetylferrocene and 3-aminophenol. The new acetylferrocene azomethine ligand ((Z)-cyclopenta-1,3-dien-1-yl(2-(1-((3-hydroxyphenyl)imino)ethyl)cyclopenta-2,4-dien-1-yl)iron) and its metal ion chelates were constructed and elucidated using FT-IR, UV/Vis, HNMR, DTA/TGA, CHNClM studies, mass spectrometry and SEM analysis. According to the TGA/DTG investigation, the ferrocene moiety spontaneously disintegrates to liberate FeO. The morphology of the free acetylferrocene azomethine via SEM analysis was net-shaped with a size of 64.73 nm, which differed in Cd(II) complex to be a spongy shape with a size of 42.43 nm. The quantum chemical features of the azomethine ligand (HL) were computed, and its electronic and molecular structure was refined theoretically. The investigated acetylferrocene imine ligand behaves as bidinetate ligand towards the cations under study to form octahedral geometries in case of all complexes except in case of Zn is tetrahedral. Various microorganisms were used to investigate the anti-pathogenic effects of the free acetylferrocene azomethine ligand and its metal chelates. Moreover, the prepared ligand and its metal complexes were tested for anticancer activity utilizing four different concentrations against the human breast cancer cell line (MCF7) and the normal melanocyte cell line (HBF4). Furthermore, the binding of 3-aminophenol, 2-acetylferrocene, HL, Mn, Cu, and Cd metal chelates to the receptor of breast cancer mutant oxidoreductase was discovered using molecular docking (PDB ID: 3HB5).
由2-乙酰基二茂铁和3-氨基苯酚制备了一些含铬、锰、铁、钴、镍、铜、锌和镉阳离子的新型亚胺金属螯合物。利用傅里叶变换红外光谱（FT-IR）、紫外可见光谱（UV/Vis）、核磁共振氢谱（HNMR）、差示热分析/热重分析（DTA/TGA）、元素分析（CHNClM）研究、质谱分析和扫描电子显微镜（SEM）分析，构建并阐明了新型乙酰基二茂铁甲亚胺配体（(Z)-环戊-1,3-二烯-1-基(2-(1-((3-羟基苯基)亚氨基)乙基)环戊-2,4-二烯-1-基)铁）及其金属离子螯合物。根据热重分析/微商热重分析（TGA/DTG）研究，二茂铁部分会自发分解以释放出FeO。通过扫描电子显微镜分析，游离的乙酰基二茂铁甲亚胺的形态为网状，尺寸为64.73 nm，而镉（II）配合物的形态为海绵状，尺寸为42.43 nm。计算了甲亚胺配体（HL）的量子化学特征，并从理论上优化了其电子结构和分子结构。所研究的乙酰基二茂铁亚胺配体对所研究的阳离子表现为双齿配体，在所有配合物中形成八面体几何构型，但锌的配合物为四面体构型。使用多种微生物研究了游离的乙酰基二茂铁甲亚胺配体及其金属螯合物的抗病原作用。此外，利用四种不同浓度的制备配体及其金属配合物对人乳腺癌细胞系（MCF7）和正常黑素细胞系（HBF4）进行了抗癌活性测试。此外，利用分子对接（蛋白质数据银行ID：3HB5）发现了3-氨基苯酚、2-乙酰基二茂铁、HL、锰、铜和镉金属螯合物与乳腺癌突变氧化还原酶受体的结合情况。
