喹啉的合成、体外β-葡萄糖醛酸酶抑制潜力及分子对接研究
Synthesis, in vitro β-glucuronidase inhibitory potential and molecular docking studies of quinolines.
作者信息
Bano Bilquees, Khan Khalid Mohammed, Fatima Bibi, Taha Muhammad, Ismail Nor Hadiani, Wadood Abdul, Ghufran Mehreen, Perveen Shahnaz
机构信息
H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
出版信息
Eur J Med Chem. 2017 Oct 20;139:849-864. doi: 10.1016/j.ejmech.2017.08.052. Epub 2017 Aug 24.
In this study synthesis and β-glucuronidase inhibitory potential of 3/5/8 sulfonamide and 8-sulfonate derivatives of quinoline (1-40) are discussed. Studies reveal that all the synthetic compounds were found to have good inhibitory activity against β-glucuronidase. Nonetheless, compounds 1, 2, 5, 13, and 22-24 having IC values in the range of 1.60-8.40 μM showed superior activity than the standard saccharic acid 1,4-lactone (IC = 48.4 ± 1.25 μM). Moreover, molecular docking studies of selected compounds were also performed to see interactions between active compounds and binding sites. Structures of all the synthetic compounds were confirmed through H NMR, EI-MS and HREI-MS spectroscopic techniques.
本研究讨论了喹啉的3/5/8-磺酰胺和8-磺酸盐衍生物（1-40）的合成及其β-葡萄糖醛酸酶抑制潜力。研究表明，所有合成化合物均对β-葡萄糖醛酸酶具有良好的抑制活性。尽管如此，IC值在1.60-8.40 μM范围内的化合物1、2、5、13和22-24表现出比标准品糖二酸1,4-内酯（IC = 48.4 ± 1.25 μM）更优异的活性。此外，还对选定化合物进行了分子对接研究，以观察活性化合物与结合位点之间的相互作用。所有合成化合物的结构均通过1H NMR、EI-MS和HREI-MS光谱技术得以确证。
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