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绿色合成、酵母α-葡萄糖苷酶抑制研究及吡唑基哒嗪胺的分子对接

Green synthesis, inhibition studies of yeast α-glucosidase and molecular docking of pyrazolylpyridazine amines.

作者信息

Chaudhry Faryal, Ather Abdul Qayuum, Akhtar Mohammad Javaid, Shaukat Ayesha, Ashraf Mohammad, Al-Rashida Mariya, Munawar Munawar Ali, Khan Misbahul Ain

机构信息

Institute of Chemistry, University of the Punjab, Lahore 54590, Pakistan; Department of Chemistry, Kinnaird College for Women, Lahore 54000, Pakistan.

Applied Chemistry Research Center, PCSIR Laboratories Complex, Lahore, Pakistan.

出版信息

Bioorg Chem. 2017 Apr;71:170-180. doi: 10.1016/j.bioorg.2017.02.003. Epub 2017 Feb 9.

Abstract

An efficient and environmentally benign simple fusion reaction of 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine (1a) or 3-chloro-6-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)pyridazine (2a) with different aliphatic/aromatic amines have produced a series of novel pyrazolylpyridazine amines (4a-4c &5a-5m). All compounds exhibited moderate in vitro yeast α-glucosidase inhibition except m-chloro derivative 5g, which was found potent inhibitor of this enzyme with IC value of 19.27±0.005µM. The molecular docking further helped in understanding the structure activity relationship of these compounds including 5g.

摘要

3-氯-6-(3,5-二甲基-1H-吡唑-1-基)哒嗪(1a)或3-氯-6-(3,5-二甲基-4-硝基-1H-吡唑-1-基)哒嗪(2a)与不同脂肪族/芳香族胺的高效且环境友好的简单融合反应产生了一系列新型吡唑基哒嗪胺(4a - 4c和5a - 5m)。除间氯衍生物5g外,所有化合物均表现出中等程度的体外酵母α-葡萄糖苷酶抑制活性,5g被发现是该酶的强效抑制剂,IC值为19.27±0.005µM。分子对接进一步有助于理解这些化合物(包括5g)的构效关系。

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