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Structural Modifications of the Antiinflammatory Oxicam Scaffold and Preparation of Anticancer Organometallic Compounds
Organometallics ( IF 2.5 ) Pub Date : 2019-01-07 , DOI: 10.1021/acs.organomet.8b00751 Adnan Ashraf 1, 2 , Farhana Aman 2 , Sanam Movassaghi 1 , Ayesha Zafar 1 , Mario Kubanik 1 , Waseeq Ahmad Siddiqui 2 , Jóhannes Reynisson 1 , Tilo Söhnel 1 , Stephen M. F. Jamieson 3 , Muhammad Hanif 1 , Christian G. Hartinger 1
Organometallics ( IF 2.5 ) Pub Date : 2019-01-07 , DOI: 10.1021/acs.organomet.8b00751 Adnan Ashraf 1, 2 , Farhana Aman 2 , Sanam Movassaghi 1 , Ayesha Zafar 1 , Mario Kubanik 1 , Waseeq Ahmad Siddiqui 2 , Jóhannes Reynisson 1 , Tilo Söhnel 1 , Stephen M. F. Jamieson 3 , Muhammad Hanif 1 , Christian G. Hartinger 1
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Nonsteroidal antiinflammatory drugs (NSAIDs) have chemopreventive effects in several cancer types, and the oxicam-based NSAIDs meloxicam and piroxicam exhibit potential to treat cancer. We prepared a series of novel oxicams and coordinated them to RuII(cym)Cl and OsII(cym)Cl moieties (η6-p-cymene = cym). The oxicam ligands acted either as monodentate N-donors or bidentate N,O-chelators, depending upon the ligand structure as well as reaction conditions such as the pH value and solvent used in the reaction. The cytotoxic activity of the complexes toward carcinoma cells was investigated. The isoxazolyl motif-containing ligand 1 and its complexes with RuII(cym)Cl 1a and the Os analogue 1b proved to have anticancer activity with IC50 values in a range similar to that observed for the RuIII investigational drug IT-139, and in general the Os compounds were equally or even slightly more potent than the Ru derivatives. Since meloxicam is known as a selective inhibitor of COX-2, molecular docking studies were carried out to understand the possible interactions of the compounds with COX-2, where the organic ligands gave higher scores than their organometallic counterparts.
中文翻译：
抗炎抗氧剂支架的结构修饰和抗癌有机金属化合物的制备
非甾体类抗炎药（NSAID）在几种癌症类型中均具有化学预防作用，而基于奥卡霉素的NSAID美洛昔康和吡罗昔康具有治疗癌症的潜力。我们制备了一系列新颖的昔康类，并将它们配位到钌II（CYM）Cl和O的II（CYM）Cl残基（η 6 -p -cymene = CYM）。取决于配体结构以及反应条件（例如pH值和反应中使用的溶剂），奥昔康配体起单齿N供体或双齿N，O螯合剂的作用。研究了该复合物对癌细胞的细胞毒活性。含异恶唑基基序的配体1及其与Ru II（cym）Cl 1a的配合物证明Os类似物1b具有抗癌活性，IC 50值在与Ru III研究药物IT-139相似的范围内，并且总体而言，Os化合物的功效与Ru衍生物相同或稍强。由于美洛昔康被公认为是COX-2的选择性抑制剂，因此进行了分子对接研究以了解化合物与COX-2的可能相互作用，其中有机配体的得分高于有机金属配体。
更新日期：2019-01-08
中文翻译：
抗炎抗氧剂支架的结构修饰和抗癌有机金属化合物的制备
非甾体类抗炎药（NSAID）在几种癌症类型中均具有化学预防作用，而基于奥卡霉素的NSAID美洛昔康和吡罗昔康具有治疗癌症的潜力。我们制备了一系列新颖的昔康类，并将它们配位到钌II（CYM）Cl和O的II（CYM）Cl残基（η 6 -p -cymene = CYM）。取决于配体结构以及反应条件（例如pH值和反应中使用的溶剂），奥昔康配体起单齿N供体或双齿N，O螯合剂的作用。研究了该复合物对癌细胞的细胞毒活性。含异恶唑基基序的配体1及其与Ru II（cym）Cl 1a的配合物证明Os类似物1b具有抗癌活性，IC 50值在与Ru III研究药物IT-139相似的范围内，并且总体而言，Os化合物的功效与Ru衍生物相同或稍强。由于美洛昔康被公认为是COX-2的选择性抑制剂，因此进行了分子对接研究以了解化合物与COX-2的可能相互作用，其中有机配体的得分高于有机金属配体。
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