一些新型恶二唑并[3,4-d]嘧啶核苷衍生物作为抗病毒剂的合成及定量构效关系（QSAR）分析
Synthesis and quantitative structure-activity relationship (QSAR) analysis of some novel oxadiazolo[3,4-d]pyrimidine nucleosides derivatives as antiviral agents.
作者信息
Xu Xiaojuan, Wang Jun, Yao Qizheng
机构信息
School of Chemistry and Chemical Engineering, Yancheng Teachers University, Yancheng 210054, China.
School of Chemistry and Chemical Engineering, Yancheng Teachers University, Yancheng 210054, China.
出版信息
Bioorg Med Chem Lett. 2015 Jan 15;25(2):241-4. doi: 10.1016/j.bmcl.2014.11.065. Epub 2014 Nov 27.
We have synthesized a series of 4H,6H-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione 1-oxide nucleoside and their anti-vesicular stomatitis virus (VSV) activities in Wish cell were also investigated in vitro. It was found that most compounds showed obvious anti-VSV activities and compound 9 with ribofuranoside improved the anti-VSV activity by approximately 10 times and 18 times compared to didanosine (DDI) and acyclovir, respectively. A quantitative structure-activity relationship (QSAR) study of these compounds as well as previous reported oxadiazolo[3,4-d]pyrimidine nucleoside derivatives indicated that compounds with high activity should have small values of logP(o/w), vsurf_G and a large logS value. These findings and results provide a base for further investigations.
我们合成了一系列4H,6H-[1,2,5]恶二唑并[3,4-d]嘧啶-5,7-二酮1-氧化物核苷，并在体外研究了它们在Wish细胞中的抗水泡性口炎病毒（VSV）活性。结果发现，大多数化合物表现出明显的抗VSV活性，与去羟肌苷（DDI）和阿昔洛韦相比，具有呋喃核糖苷的化合物9的抗VSV活性分别提高了约10倍和18倍。对这些化合物以及先前报道的恶二唑并[3,4-d]嘧啶核苷衍生物进行的定量构效关系（QSAR）研究表明，具有高活性的化合物应具有较小的logP(o/w)、vsurf_G值和较大的logS值。这些发现和结果为进一步研究提供了基础。
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