Structural and in vitro cytotoxicity studies on 1H-benzimidazol-2-ylmethyl-N-phenyl amine and its Pd(II) and Pt(II) complexes
Structural and in vitro cytotoxicity studies on 1H-benzimidazol-2-ylmethyl-N-phenyl amine and its Pd(II) and Pt(II) complexes
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DOI：
10.1016/j.saa.2011.06.046
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发表时间：
2011-10-15
影响因子：
4.4
通讯作者：
Mansour, Ahmed M.
中科院分区：
文献类型：
--
作者：
Ghani, Nour T. Abdel;Mansour, Ahmed M.
[MLCL 2]中心点zH（2）O（L=（1H-苯并咪唑-2-基甲基）-N-苯胺; M = Pd，z= 0; M = Pt。z= 1）和PdL（OH 2）（2）]中心点2X中心点zH（2）O（X = Br，I，NO3，z = 0; X =SCN，z = 1）配合物，并通过元素分析、光谱和热分析等方法进行了表征。FT-IR和1H NMR研究表明，苯并咪唑L通过苯并咪唑环上的吡啶型氮（N-py）和仲氨基（NHsec）与金属离子配位.采用密度泛函B3 LYP方法，结合6- 31 G（d）和LANL 2DZ基组，对苯并咪唑及其配合物的能量、几何构型、振动波数和H-1 NMR进行了量子力学计算.在B3 LYP/LANL 2DZ水平上计算了分子的自然键轨道和前线轨道。合成的配体，在其金属配合物相比，筛选其抗菌活性。苯并咪唑L对金黄色葡萄球菌的毒性（MIC= 58 μ g/mL）高于标准四环素（MIC= 82 μ g/mL）。该配合物对乳腺癌、结肠癌和人肝癌细胞均具有细胞毒性。铂络合物（6）显示出对乳腺癌的细胞毒性（IC 50 =12.4 μ M），而报道的顺铂为9.91 μ M。(C)2011 Elsevier B. V.保留所有权利。
[MLCL2]center dot zH(2)O (L=(1H-benzimidazol-2-ylmethyl)-N-phenyl amine; M = Pd, z= 0; M = Pt. z= 1) and PdL(OH2)(2)]center dot 2X center dot zH(2)O (X = Br, I, NO3, z = 0; X =SCN, z = 1) complexes were synthesized as potential anticancer compounds and characterized by elemental analysis, spectral and thermal methods. FT-IR and H NMR studies revealed that the benzimidazole L is coordinated to the metal ions via the pyridine-type nitrogen (N-py) of the benzimidazole ring and secondary amino group (NHsec). Quantum mechanical calculations of energies, geometries, vibrational wavenumbers, and H-1 NMR of the benzimidazole L and its complexes were carried out by density functional theory using B3LYP functional combined with 6-31G(d) and LANL2DZ basis sets. Natural bond orbitals (NBOs) and frontier molecular orbitals were performed at B3LYP/LANL2DZ level of theory. The synthesized ligand, in comparison to its metal complexes was screened for its antibacterial activity. The benzimidazole L is more toxic against the bacterium Staphylococcus aureus (MIC= 58 mu g/mL) than the standard tetracycline (MIC= 82 mu g/mL). The complexes showed cytotoxicity against breast cancer, Colon Carcinoma, and human heptacellular Carcinoma cells. The platinum complex (6) displays cytotoxicity (IC50=12.4 mu M) against breast cancer compared with that reported for cis-platin 9.91 mu M. (C) 2011 Elsevier B.V. All rights reserved.