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Discovery of Novel Chromone Derivatives as Potential Anti-TSWV Agents
Journal of Agricultural and Food Chemistry ( IF 5.7 ) Pub Date : 2021-09-13 , DOI: 10.1021/acs.jafc.1c03626 Ningning Zan 1 , Jiao Li 1 , Hongfu He 1 , Deyu Hu 1 , Baoan Song 1
Journal of Agricultural and Food Chemistry ( IF 5.7 ) Pub Date : 2021-09-13 , DOI: 10.1021/acs.jafc.1c03626 Ningning Zan 1 , Jiao Li 1 , Hongfu He 1 , Deyu Hu 1 , Baoan Song 1
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A series of novel chromone derivatives containing dithioacetals were prepared, and their antiviral activity against tomato spotted wilt virus (TSWV) was studied. The results showed that compounds A1–A31 had good inhibitory activity against TSWV. The 3D-QSAR model was built to analyze the structure–activity relationship of the compounds. We further found that compounds A32 and A33 had excellent anti-TSWV activities based on the results of 3D-QSAR, which were better than the control agents ningnanmycin and ribavirin. To study the mode of action of these compounds on TSWV, the nucleocapsid protein of TSWV (TSWV N) was cloned, expressed, and purified in the study. The results of the microscale thermophoresis (MST) experiments indicate that compound A33 can better bind with TSWV N. The molecular docking experiment further indicated that the mode of action of the compound A33 is to inhibit the virus by blocking the combination of TSWV N and viral RNA. Therefore, this study has found that chromone compound A33 is a potential anti-TSWV agent that targets TSWV N.
中文翻译：
发现新型色酮衍生物作为潜在的抗 TSWV 药物
制备了一系列含有二硫缩醛的新型色酮衍生物，并研究了它们对番茄斑萎病毒（TSWV）的抗病毒活性。结果表明化合物A1-A31对TSWV具有良好的抑制活性。建立 3D-QSAR 模型以分析化合物的构效关系。我们进一步发现化合物A32和A33基于3D-QSAR的结果，其具有优异的抗TSWV活性，优于对照剂宁南霉素和利巴韦林。为了研究这些化合物对 TSWV 的作用方式，在研究中克隆、表达和纯化了 TSWV 的核衣壳蛋白 (TSWV N)。微尺度热泳（MST）实验结果表明，化合物A33可以更好地与TSWV N结合。分子对接实验进一步表明，化合物A33的作用方式是通过阻断TSWV N与病毒的结合来抑制病毒。核糖核酸。因此，本研究发现色酮化合物A33是一种潜在的抗 TSWV 药物，靶向 TSWV N。
更新日期：2021-09-22
中文翻译：
发现新型色酮衍生物作为潜在的抗 TSWV 药物
制备了一系列含有二硫缩醛的新型色酮衍生物，并研究了它们对番茄斑萎病毒（TSWV）的抗病毒活性。结果表明化合物A1-A31对TSWV具有良好的抑制活性。建立 3D-QSAR 模型以分析化合物的构效关系。我们进一步发现化合物A32和A33基于3D-QSAR的结果，其具有优异的抗TSWV活性，优于对照剂宁南霉素和利巴韦林。为了研究这些化合物对 TSWV 的作用方式，在研究中克隆、表达和纯化了 TSWV 的核衣壳蛋白 (TSWV N)。微尺度热泳（MST）实验结果表明，化合物A33可以更好地与TSWV N结合。分子对接实验进一步表明，化合物A33的作用方式是通过阻断TSWV N与病毒的结合来抑制病毒。核糖核酸。因此，本研究发现色酮化合物A33是一种潜在的抗 TSWV 药物，靶向 TSWV N。
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