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Discovery of Novel Chromone Derivatives Containing a Sulfonamide Moiety as Anti-ToCV Agents through the Tomato Chlorosis Virus Coat Protein-Oriented Screening Method
Journal of Agricultural and Food Chemistry ( IF 5.7 ) Pub Date : 2021-10-11 , DOI: 10.1021/acs.jafc.1c02467
Donghao Jiang 1 , Jixiang Chen 1 , Ningning Zan 1 , Chunyi Li 1 , Deyu Hu 1 , Baoan Song 1
Affiliation  

A number of novel chromone derivatives containing sulfonamide moieties were designed and synthesized, and the activity of compounds against tomato chlorosis virus (ToCV) was assessed using the ToCVCP-oriented screening method. Comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) models were established based on the dissociation constant (Kd) values of the target compounds, and compound 35 was designed and synthesized with the aid of CoMFA and CoMSIA models. The study of affinity interaction indicated that compound 35 exhibited excellent affinity with ToCVCP with a Kd value of 0.11 μM, which was better than that of the positive control agents xiangcaoliusuobingmi (0.44 μM) and ningnanmycin (0.79 μM). In addition, the in vivo inhibitory effect of compound 35 on the ToCVCP gene was evaluated by the quantitative real-time polymerase chain reaction. ToCVCP gene expression levels of the compound 35 treatment group were reduced by 67.2%, which was better than that of the positive control agent ningnanmycin (59.5%). Therefore, compound 35 can be used as a potential anti-ToCV drug in the future.

中文翻译:

通过番茄变绿病毒外壳蛋白定向筛选方法发现含有磺酰胺部分的新型色酮衍生物作为抗 ToCV 药物

设计并合成了许多含有磺酰胺部分的新型色酮衍生物,并使用面向 ToCVCP 的筛选方法评估了化合物对番茄萎黄病病毒 (ToCV) 的活性。基于目标化合物的解离常数(K d)值建立了比较分子场分析(CoMFA)和比较分子相似性指数分析(CoMSIA)模型,并借助CoMFA和CoMSIA模型设计合成了化合物35。亲和相互作用研究表明,化合物35与ToCVCP表现出优异的亲和性,K d值0.11 μM,优于阳性对照剂香草柳絮凝蜜(0.44 μM)和宁南霉素(0.79 μM)。此外,通过定量实时聚合酶链反应评估了化合物35对ToCVCP基因的体内抑制作用。复方35治疗组ToCVCP基因表达水平降低67.2%,优于阳性对照剂宁南霉素(59.5%)。因此,化合物35可作为未来潜在的抗ToCV药物。
更新日期:2021-10-20
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