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解开DPP4受体与SARS-CoV-2变种和MERS-CoV的相互作用:通过免疫信息学和分子动力学了解肺部疾病

Arpan Narayan Roy¹, Aayatti Mallick Gupta², Deboshmita Banerjee¹

¹National Institute of Biomedical Genomics, Kalyani 741251, West Bengal, India.

|October 28, 2023

概括

人类冠状病毒使用二乙酶4 (DPP4) 进入细胞. 由于特定的突变,SARS-CoV-2变种,特别是Delta,显示出对DPP4的增强结合,这表明DPP4是COVID-19的治疗标.

科学领域:

病毒学病毒学
生物化学生物化学
分子生物学分子生物学

背景情况:

人类冠状病毒,包括MERS-CoV,利用二乙酶4 (DPP4) 作为病毒进入的共同受体,与ACE2不同.
DPP4与伴随性疾病患者的疾病严重程度增加有关.
关于与DPP4相互作用的SARS-CoV-2尖端蛋白变体及其在COVID-19发病过程中的作用的证据有限.

研究的目的:

调查SARS-CoV-2尖端蛋白变体与DPP4.4之间的相互作用的机制基础.
为了比较不同尖端变异与DPP4与MERS-CoV:DPP4复合体之间的结合相互作用.
阐明特定突变在增强DPP4结合中的作用以及对COVID-19严重性的潜在影响.

主要方法:

用分子对接和模拟研究来分析结合相互作用.
在SARS-CoV-2尖端变种 (三角形,阿尔法,玛) 和DPP4之间结合亲和力的比较分析.
对MERS-CoV:DPP4复合体实验确定结构的相互作用的评估.

主要成果:

德尔塔变种的尖蛋白 (Delta-CoV-2) 显示出与DPP4的结合接近,类似于MERS-CoV:DPP4.
发现Delta变种 (L452R,T478K) 和其他变种 (E484K) 的特定突变直接增强了DPP4结合.
由于这些关键突变,在附近的尖蛋白残留物中观察到扰乱,影响结合动态.

结论:

DPP4与SARS-CoV-2尖端蛋白的相互作用是由特定突变促进的,特别是L452R,T478K和E484K.
病毒性尖蛋白菌株对DPP4相互作用的敏感性增加,可能会在患有并发症的患者中恶化疾病.
准DPP4为管理COVID-19疾病严重程度提供了一个合理的治疗策略.

关键词:

DPP4 DPP4 DPP4 DPP4 DPP4 DPP4 DPP4 DPP4 DPP4 DPP4 DPP4 这就是MERS-CoV.在RBD中,RBD是RBD.这就是SARS-CoV-2病毒.结合性亲和力是一种结合性亲和力.尖蛋白的变体尖蛋白变体

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