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Copper(II)-N-hydroxy-N,N′-diarylformamidine complexes: Synthesis, crystal structures, antibacterial and molecular docking studies
Journal of Inorganic Biochemistry ( IF 3.9 ) Pub Date : 2021-09-03 , DOI: 10.1016/j.jinorgbio.2021.111600
Wisdom A Munzeiwa 1 , Segun D Oladipo 2 , Collins U Ibeji 3 , Chunderika Mocktar 4 , Bernard Omondi 5
Affiliation  

A series of Cu(II) complexes were synthesized by using N-hydroxy-N,N′-diarylformamidine ligands: N-hydroxy-N,N′-(phenyl)formamidine (L1), N-hydroxy-N′-(4-methylphenyl)formamidine (L2), N-hydroxy-N,N′-(2,6-dimethylphenyl)formamidine (L3), N-hydroxy-N,N′-(2,6-diisopropylphenyl)formamidine (L4). Reaction of ligands L1L4 with hydrated copper acetate furnished mononuclear Cu(II) complexes 14 with general formula [Cu-(L)2]. The molecular structures of complexes 3 and 4, as determined by single crystal X-ray diffraction, showed both to have square planar geometry with a near C2 symmetry. The antimicrobial potency of all four complexes was evaluated against three gram-(–) bacteria (S. typhimurium, P. aeruginosa, and E. coli) and two gram-(+) bacteria (Methicillin-resistant S. aureus (MRSA) and S. aureus), with ciprofloxacin as the reference drug. All tested complexes were inactive against gram-(+) bacteria strains except for complex 1, which displayed excellent activity when compared to the reference. Molecular docking studies showed that hydrogen bonding, pi-sigma and van der Waals interactions are prominent complex-protein connections, with complex 2 displaying good binding affinities with the studied biological targets.



中文翻译:

铜 (II)-N-羟基-N,N'-二芳基甲脒配合物:合成、晶体结构、抗菌和分子对接研究

使用N-羟基-NN'-二芳基甲脒配体合成了一系列Cu(II)配合物:N-羟基-NN' -(苯基)甲脒( L1 )、N-羟基-N' -(4 -甲基苯基)甲脒(L2)、N-羟基-NN' -(2,6-二甲基苯基)甲脒(L3)、N-羟基-N,N' -(2,6-二异丙基苯基)甲脒(L4)。配体L1L4的反应与水合乙酸铜配制成单核 Cu(II) 配合物1-4,通式为 [Cu-( L ) 2 ]配合物34的分子结构,通过单晶 X 射线衍射测定,均显示出具有接近C 2对称性的方形平面几何形状。评估了所有四种复合物对三种革兰氏 (-) 细菌(鼠伤寒沙门氏菌铜绿假单胞菌大肠杆菌)和两种革兰氏 (+) 细菌(耐甲氧西林金黄色葡萄球菌 (MRSA ) 和金黄色葡萄球菌),以环丙沙星为参照药。除复合物1外,所有测试的复合物都对革兰氏 (+) 细菌菌株无活性,与参考相比,复合物 1 显示出优异的活性。分子对接研究表明,氢键、π-σ 和范德华相互作用是突出的复合物-蛋白质连接,复合物2与所研究的生物靶标具有良好的结合亲和力。

更新日期:2021-09-08
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