首次发现含磺酰胺部分的新型胞嘧啶衍生物作为潜在的抗病毒药物。
First Discovery of Novel Cytosine Derivatives Containing a Sulfonamide Moiety as Potential Antiviral Agents.
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.
出版信息
J Agric Food Chem. 2022 May 25;70(20):6026-6036. doi: 10.1021/acs.jafc.2c00922. Epub 2022 May 16.
A series of cytosine derivatives containing a sulfonamide moiety were designed and synthesized, and their antiviral activities against pepper mild mottle virus (PMMoV) were systematically evaluated. Then, a three-dimensional quantitative structure-activity relationship (3D-QSAR) model was constructed to study the structure-activity relationship according to the pEC of the compounds' protective activities. Next, compound with preferable antiviral activity on PMMoV was obtained based on the CoMSIA and CoMFA models, with an EC of 19.5 μg/mL, which was superior to the template molecule (21.3 μg/mL) and ningnanmycin (214.0 μg/mL). In addition, further studies showed that the antiviral activity of compound against PMMoV was in accord with the up-regulation of proteins expressed in the defense response and carbon fixation in photosynthetic organisms. These results indicated that cytosine derivatives containing a sulfonamide moiety could be used as novel potential antiviral agents for further research and development.
设计并合成了一系列含有磺酰胺部分的胞嘧啶衍生物，系统地评估了它们对辣椒轻斑驳病毒（PMMoV）的抗病毒活性。然后，根据化合物保护活性的 pEC 值，构建了一个三维定量构效关系（3D-QSAR）模型，以研究构效关系。接下来，基于 CoMSIA 和 CoMFA 模型，获得了对 PMMoV 具有较好抗病毒活性的化合物 ，其 EC 值为 19.5μg/mL，优于模板分子 （21.3μg/mL）和宁南霉素（214.0μg/mL）。此外，进一步的研究表明，化合物 对 PMMoV 的抗病毒活性与防御反应和光合作用生物中碳固定表达的蛋白质上调一致。这些结果表明，含有磺酰胺部分的胞嘧啶衍生物可用作新型潜在的抗病毒药物，进一步研究和开发。
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