当前位置: X-MOL 学术Eur. J. Med. Chem. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Synthesis, in vitro β-glucuronidase inhibitory potential and molecular docking studies of quinolines
European Journal of Medicinal Chemistry ( IF 6.7 ) Pub Date : 2017-08-24 , DOI: 10.1016/j.ejmech.2017.08.052
Bilquees Bano , Arshia , Khalid Mohammed Khan , Kanwal , Bibi Fatima , Muhammad Taha , Nor Hadiani Ismail , Abdul Wadood , Mehreen Ghufran , Shahnaz Perveen

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 2224 having IC50 values in the range of 1.60–8.40 μM showed superior activity than the standard saccharic acid 1,4-lactone (IC50 = 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 1H NMR, EI-MS and HREI-MS spectroscopic techniques.



中文翻译:

喹啉的合成,体外β-葡萄糖醛酸苷酶抑制潜力和分子对接研究

在这项研究中合成和β葡萄糖醛酸酶喹啉(的3/5/8磺酰胺和8-磺酸酯衍生物的抑制潜力1-40)进行了讨论。研究表明,所有合成的化合物均对β-葡萄糖醛酸苷酶具有良好的抑制活性。尽管如此,化合物12513,和22 - 24个具有IC 50值的1.60-8.40的范围内 μ中号显示出比标准糖酸-1,4-内酯优良的活性(IC 50  = 48.4±1.25  μM)。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。通过1 H NMR,EI-MS和HREI-MS光谱技术确认了所有合成化合物的结构。

更新日期:2017-08-24
down
wechat
bug