Journal of Inorganic Biochemistry ( IF 3.8 ) Pub Date : 2018-07-21 , DOI: 10.1016/j.jinorgbio.2018.07.007 George D Geromichalos 1 , Alketa Tarushi 2 , Konstantinos Lafazanis 3 , Anastasia A Pantazaki 4 , Dimitris P Kessissoglou 2 , George Psomas 2
In the present contribution, the biological properties of four manganese complexes with the non-steroidal anti-inflammatory drugs sodium diclofenac (Nadicl) or indomethacin (Hindo) in the presence or absence of salicylaldoxime (Η2sao), i.e. [Μn6(O)2(dicl)2(sao)6(CH3OH)6] 1, [Μn6(O)2(indo)2(sao)6(H2O)4], 2, [Μn(dicl)2(CH3OH)4], 3, and [Μn(indo)2(CH3OH)4], 4 are presented. More specifically, the in vitro cytotoxic effects of the complexes were evaluated against three cancer cell lines (HeLa, MCF-7 and A549 cells) as well as their combinatory activity with the well-known chemotherapeutic drugs irinotecan, cisplatin, paclitaxel and 5-fluorouracil. The biological activity of the complexes was investigated in vitro by studying their affinity to calf-thymus DNA and their binding towards bovine or human serum albumin (HSA). Molecular docking simulations on the crystal structure of HSA and human estrogen receptor alpha (hERa) were employed in order to study in silico the ability of the studied complexes to bind to these proteins.
中文翻译：
锰 (III) 反相-[9-MC-3]-金属冠和锰 (II) 配合物与抗炎药双氯芬酸或吲哚美辛的生物活性的体外和计算机研究
在本贡献中，四种锰与非甾体抗炎药双氯芬酸钠 (Nadicl) 或吲哚美辛 (Hindo) 在存在或不存在水杨醛肟 (H 2 sao) 的情况下的生物学特性，即[Mn 6 (O ) 2 (dicl) 2 (sao) 6 (CH 3 OH) 6 ] 1 , [Mn 6 (O) 2 (indo) 2 (sao) 6 (H 2 O) 4 ], 2 , [Mn(dicl) 2 (CH 3 OH) 4 ], 3，和[Mn(indo) 2 (CH 3 OH) 4 ]，4。更具体地说，评估了复合物对三种癌细胞系（HeLa、MCF-7 和 A549 细胞）的体外细胞毒性作用以及它们与众所周知的化疗药物伊立替康、顺铂、紫杉醇和 5-氟尿嘧啶的组合活性. 通过研究它们对小牛胸腺 DNA 的亲和力及其对牛或人血清白蛋白 (HSA) 的结合，在体外研究了复合物的生物活性。HSA 和人雌激素受体 α (hERa) 晶体结构的分子对接模拟被用于计算机研究 研究的复合物与这些蛋白质结合的能力。
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