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Synthesis of coumarin-theophylline hybrids as a new class of anti-tubercular and anti-microbial agents
European Journal of Medicinal Chemistry ( IF 6.7 ) Pub Date : 2018-01-10 , DOI: 10.1016/j.ejmech.2018.01.025
Sumitra N. Mangasuli , Kallappa M. Hosamani , Hirihalli C. Devarajegowda , Mahantesh M. Kurjogi , Shrinivas D. Joshi

A series of novel coumarin-theophylline hybrids were synthesized and examined for their anti-tubercular activity in vitro against Mycobacterium tuberculosis H37Rv, anti-microbial activity in vitro against gram-positive bacteria (Staphylococcus aureus) and gram-negative bacterias (Escherichia coli, Salmonella typhi) as well as fungi (Candida albicans). The compound (3a) has shown excellent anti-tubercular activity with MIC of 0.12 μg/mL. Electron donating compounds (3a, 3f) have displayed significant anti-microbial activity. The compounds have also been precisely elucidated using single crystal X-ray diffraction techniques. Molecular docking study has been performed against 4DQU enzyme of Mycobacterium tuberculosis showed good binding interactions and is in agreement with the in vitro results.



中文翻译:

香豆素-茶碱杂化物的合成作为一类新型的抗结核和抗微生物剂

合成了一系列新型香豆素-茶碱杂种,并测试了它们在体外结核分枝杆菌H 37 Rv的抗结核活性,在体外对革兰氏阳性菌(金黄色葡萄球菌)和革兰氏阴性菌(大肠杆菌)的抗微生物活性沙门氏菌(Salmonella typhi)以及真菌(白色念珠菌Candida albicans))。化合物(3a)显示出优异的抗结核活性,MIC为0.12μg/ mL。给电子化合物(3a,3f)表现出显着的抗微生物活性。还使用单晶X射线衍射技术精确阐明了这些化合物。已经针对结核分枝杆菌的4DQU酶进行了分子对接研究,显示出良好的结合相互作用,并且与体外结果相符。

更新日期:2018-01-10
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