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在SARS-CoV-2病毒和ivermectin受体结合域的结合行为

Kasidy R Gossen¹, Meiyi Zhang¹, Zivko L Nikolov¹

¹Department of Biological and Agricultural Engineering, Texas A&M University, 2117 TAMU, College Station, TX, 77843, USA.

Scientific reports

|February 1, 2024

概括

艾弗梅克丁 (IVM) 在经批准的剂量中没有在预防或治疗COVID-19方面表现出有效性. 结合性研究显示IVM与SARS-CoV-2尖端蛋白之间的相互作用很小,这表明治疗潜力有限.

科学领域:

生物化学生物化学
病毒学病毒学
药物发现药物发现药物发现

背景情况:

随着COVID-19的流行,全球都开始对SARS-CoV-2的预防和治疗进行研究.
抗寄生虫药物伊弗梅克丁 (IVM) 显示出潜在的抗病毒活性,引发了关于其对SARS-CoV-2有效性的辩论.

研究的目的:

为了研究Ivermectin (IVM) 与SARS-CoV-2受体结合域 (RBD) 的结合动力学.
根据IVM与病毒蛋白的相互作用,评估IVM作为用于COVID-19预防和治疗的重用药物的潜力.

主要方法:

利用氨基基 (APS) 生物传感器模拟病毒蛋白与人类受体相互作用.
使用生物层干扰计 (BLI) 进行动力分析.
通过in silico方法验证的结果:蛋白质 - 连接物对接,分子动力学模拟,MM-GBSA和PCA.

主要成果:

与生物传感器结合的IVM与度增加,显示分离率降低.
在SARS-CoV-2 RBD-IVM相互作用中,只有在度是批准剂量的1000倍时才观察到显著的动力学变化.
在35分钟的观察期内检测到最小的变化.

结论:

在目前批准的剂量下,甲 (IVM) 似乎不是有效的预防或治疗COVID-19.
这项研究表明,基于直接结合相互作用,IVM对SARS-CoV-2的治疗潜力有限.

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