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首页> 外文期刊>Bioorganic and Medicinal Chemistry Letters >Synthesis and antitubercular activity of new 1,3,4-oxadiazoles bearing pyridyl and thiazolyl scaffolds
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Synthesis and antitubercular activity of new 1,3,4-oxadiazoles bearing pyridyl and thiazolyl scaffolds

机译：新型带有吡啶基和噻唑基骨架的1,3,4-恶二唑的合成及抗结核活性

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摘要

In search of more potent and safe new antitubercular agents, here new 2-pyridinyl substituted thiazolyl-5-aryl-1,3,4-oxadiazoles (6a-o), have been designed and synthesized using thionicotinamide as a starting, following novel multistep synthetic route. An intermediate, pyridinyl substituted thiazolyl acid hydrazide (4) when condensed with benzoic acidsicotinic acids (5a-o) in the presence of silica supported POCl3 yielded better to excellent yields of the title compounds. All the synthesized compounds (6a-o) and intermediate acid hydrazide (4) have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG. Amongst them, 6f, 6j, 6l and 6o have revealed promising activity against M. bovis BCG at concentrations less than 3 mu g/mL. These compounds have shown low cytotoxicity (CC50: > 100 mu g/mL) towards four human cancer cell lines. Molecular docking study has also been performed against mycobacterial enoyl reductase (InhA) enzyme to gain an insight into the binding modes of these molecules and recorded good binding affinity. The ADME properties the title products have also been analyzed. (C) 2016 Elsevier Ltd. All rights reserved.
机译：为了寻找更有效和安全的新型抗结核药，这里设计并合成了新的2-吡啶基取代的噻唑基-5-芳基-1,3,4-恶二唑（6a-o），并以亚硫磺酰胺为起始原料，按照新颖的多步骤进行合成合成路线。当在二氧化硅负载的POCl 3存在下与苯甲酸/烟酸（5a-o）缩合时，中间体吡啶基取代的噻唑基酸酰肼（4）产生更好至优异产率的标题化合物。已经筛选了所有合成的化合物（6a-o）和中间酸酰肼（4），它们具有针对结核分枝杆菌H37Ra（MTB）和牛分枝杆菌BCG的体外抗结核活性。其中6f，6j，6l和6o在浓度低于3μg / mL的条件下显示出对牛分枝杆菌BCG的有希望的活性。这些化合物对四种人类癌细胞系显示出低细胞毒性（CC50：> 100μg / mL）。还针对分枝杆菌烯酰还原酶（InhA）酶进行了分子对接研究，以深入了解这些分子的结合方式并记录了良好的结合亲和力。还分析了标题产品的ADME属性。 （C）2016 Elsevier Ltd.保留所有权利。

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