含酰腙基团的反式阿魏酸衍生物的合成、抗病毒活性及分子对接研究
Synthesis, antiviral activity, and molecular docking study of trans-ferulic acid derivatives containing acylhydrazone moiety.
作者信息
Wang Zhenzhen, Xie Dandan, Gan Xiuhai, Zeng Song, Zhang Awei, Yin Limin, Song Baoan, Jin Linhong, Hu Deyu
机构信息
State Key Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, China.
State Key Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, China.
出版信息
Bioorg Med Chem Lett. 2017 Sep 1;27(17):4096-4100. doi: 10.1016/j.bmcl.2017.07.038. Epub 2017 Jul 15.
In this study, we report the synthesis and antiviral activity of trans-ferulic acid derivatives containing acylhydrazone moiety. Biological tests demonstrated that most target compounds showed potent antiviral activity against tobacco mosaic virus (TMV). Compound D4 showed remarkable inactivating activity with EC value of 36.59μg/mL, which was obviously superior to ribavirin (126.05μg/mL). Molecular docking results revealed that compound D4 exhibited the optimal combining capacity with five hydrogen bonds to different amino-acid residues of TMV coat protein (TMV-CP). Docking results were consistent with the inactivating activity of target compounds against TMV.
在本研究中，我们报道了含酰腙部分的反式阿魏酸衍生物的合成及其抗病毒活性。生物学试验表明，大多数目标化合物对烟草花叶病毒（TMV）显示出强效抗病毒活性。化合物D4表现出显著的灭活活性，其半数有效浓度（EC）值为36.59μg/mL，明显优于利巴韦林（126.05μg/mL）。分子对接结果表明，化合物D4与烟草花叶病毒外壳蛋白（TMV-CP）的不同氨基酸残基形成5个氢键，展现出最佳结合能力。对接结果与目标化合物对TMV的灭活活性一致。
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