Facile synthesis, X-Ray structure of new multi-substituted aryl imidazole ligand, biological screening and DNA binding of its Cr(III), Fe(III) and Cu(II) coordination compounds as potential antibiotic and anticancer drugs
作者:Laila H. Abdel-Rahman、Antar A. Abdelhamid、Ahmed M. Abu-Dief、Mohamed R. Shehata、Mohamed A. Bakheet
DOI:10.1016/j.molstruc.2019.127034
日期:2020.1
spectrophotometry, conductivity and magnetic measurements. The crystal and molecular structure of aryl imidazole ligand HL were discussed by using maXus. The structure of the titled aryl imidazole ligand HL and its metal coordination compounds were discussed theoretically by using Gaussian 09 program at the B3LYP/LANL2DZ level of theory. The obtained data showed that the new compounds have 1:1 M ratio (metal:
使用Gaussian 09程序在B3LYP/LANL2DZ理论水平上对标题芳基咪唑配体HL及其金属配位化合物的结构进行了理论讨论。获得的数据表明,新化合物具有 1:1 M 的比例(金属:配体)和非电解质性质。新制备的 [Cr(L)Cl2(H2O)2]、[Fe(L)(NO3)2(H2O)2] 和 [Cu(L)Cl(H2O)3] 配位化合物具有扭曲的八面体几何形状。使用高斯 09 程序在 B3LYP/LANL2DZ 水平上进行了密度泛函理论 (DFT) 计算以研究配体及其配位化合物的平衡几何形状。此外,新化合物还针对选定的微生物种类进行了测试,即金黄色葡萄球菌 (+ve)、铜绿假单胞菌 (-ve)、大肠杆菌 (-ve) 以及白色念珠菌,黄曲霉和红毛癣菌。结果表明,新化合物对所选病原微生物的生长抑制显示出高效能。此外,通过吸收光谱、凝胶电泳和粘度技术研究了新配位化合物与 CT-DNA 的相互作用