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大自然的密码破解器:在体中解码apigenin对SARS-CoV-2的三重防御

Juanjuan Huang¹, Yabo Fang², Hongya Guan¹

¹Department of Clinical Laboratory, Zhengzhou Central Hospital Affiliated to Zhengzhou University, Zhengzhou, China.

Frontiers in microbiology

|January 1, 2026

概括

阿皮基宁通过与病毒蛋白和宿主因子相互作用,显示出作为COVID-19多目标治疗的潜力. 这种天然化合物可能有助于减少病毒的进入,复制和炎症.

科学领域:

计算病毒学计算病毒学.
自然产品药物发现自然产品药物发现
系统药理学系统药理学

背景情况:

随着COVID-19的爆发,人们越来越需要针对病毒和宿主因素的广泛抗病毒药物.
原蛋白具有已知的抗病毒和抗炎性质,但其对SARS-CoV-2的有效性尚未得到充分研究.

研究的目的:

研究apigenin作为针对SARS-CoV-2的治疗剂的潜力.
阐明apigenin对SARS-CoV-2的作用的潜在分子机制.

主要方法:

使用矩阵分解,深度学习 (GiGs,CSatDTA),多尺度分子建模和网络药理学.
预测的药物向相互作用,结合亲缘关系和分子对接.
分析了由apigenin调节的宿主炎症路径.

主要成果:

通过GiGs模型,Apigenin被预测为一种潜在的SARS-CoV-2药物.
通过CSatDTA和分子对接证实了对GRP78的高结合亲和力和对HSPG的中等亲和力.
原蛋白与病毒Nsp15和宿主因子AKT1和PTGS2相互作用,调节PI3K-Akt和HIF-1通路.

结论:

原蛋白表现出针对SARS-CoV-2的多目标机制,影响病毒过程和宿主炎症.
这些发现支持阿皮基宁作为一种有前途的基于天然产品的COVID-19治疗策略.

关键词:

这就是SARS-CoV-2病毒.它们的基因是apigenin.深度学习是一种深度学习.矩阵分解因子化分子建模分子建模

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