新型三氟甲基化马替金 - 苏二肽模拟物作为强效抗乙肝病毒药物的设计、合成及生物学评价
Design, Synthesis, and Biological Evaluation of Novel Trifluoromethylated Dipeptide Mimetics of Matijin-Su as Potent Anti-HBV Agents.
作者信息
Shao Xiaoshuang, Kuang Anxiang, Xu Guangcan, Yu Gang, Xu Bixue, Kong Xiangkai, Meng Xueling, Zeng Xiaoping
机构信息
State Key Laboratory of Functions and Applications of Medicinal Plants, Guizhou Medical University, Guiyang, China.
Natural Products Research Center of Guizhou Province/Guizhou Provincial Engineering Research Center for Natural Drugs, Guiyang, China.
出版信息
Chem Biodivers. 2025 May;22(5):e202402061. doi: 10.1002/cbdv.202402061. Epub 2025 Jan 7.
A series of Matijin-Su (MTS) derivatives were designed, synthesized and their anti-hepatitis B virus (HBV) activities were evaluated in vitro. Twelve compounds displayed good inhibitory activity against HBV DNA replication with IC values at micromolar level (0.14-4.81 µM), and among them, compounds 13d, 13n, and 13o were selected for further study. Compound 13d suppressed the HBeAg secretion with IC value of 2.57 µM (SI = 4.31), while had no effect on HBsAg. However, compounds 13n and 13o showed no effect to both HBeAg and HBsAg. The molecular docking studies indicated that compound 13d could form H-bond interaction with protein residues of HBV core protein which deserves further study.
设计并合成了一系列马替金 - 苏（MTS）衍生物，并在体外评估了它们的抗乙型肝炎病毒（HBV）活性。十二种化合物对HBV DNA复制显示出良好的抑制活性，IC值处于微摩尔水平（0.14 - 4.81 μM），其中化合物13d、13n和13o被选作进一步研究。化合物13d抑制HBeAg分泌，IC值为2.57 μM（SI = 4.31），而对HBsAg无影响。然而，化合物13n和13o对HBeAg和HBsAg均无影响。分子对接研究表明，化合物13d可与HBV核心蛋白的蛋白质残基形成氢键相互作用，值得进一步研究。
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