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Structure-based study of immune receptors as eligible binding targets of coronavirus SARS-CoV-2 spike protein
Journal of Molecular Graphics and Modelling ( IF 2.9 ) Pub Date : 2021-07-28 , DOI: 10.1016/j.jmgm.2021.107997
Saeed Mobini 1 , Milad Chizari 2 , Ladan Mafakher 3 , Elmira Rismani 4 , Elham Rismani 5
Affiliation  

One of the most important challenges in the battle against contagious SARS-CoV-2 is subtle identification of the virus pathogenesis. The broad range of COVID-19 clinical manifestations may indicate diversity of virus-host cells. Amongst key manifestations, especially in severe COVID-19 patients, reduction and/or exhaustion of lymphocytes, monocytes, basophils, and dendritic cells are seen.; therefore, it is required to recognize that how the virus infects the cells. Interestingly, angiotensin-converting enzyme 2 (ACE2) as the well-known receptor of SARS-CoV-2 is low or non-expressed in these cells. Using computational approach, several receptor candidates including leukocyte surface molecules and chemokine receptors that expressed in most lineages of immune cells were evaluated as the feasible receptor of spike receptor-binding domain (RBD) of SARS-CoV-2. The results revealed the higher binding affinity of CD26, CD2, CD56, CD7, CCR9, CD150, CD4, CD50, XCR1 and CD106 compared to ACE2. However, the modes of binding and amino acids involved in the interactions with the RBD domain of spike were various. Overall, the affinity of immune receptor candidates in binding to SARS-CoV-2 RBD may offer insight into the recognition of novel therapeutic targets in association with COVID-19.



中文翻译:

基于结构的免疫受体研究作为冠状病毒 SARS-CoV-2 刺突蛋白的合格结合靶点

在与传染性 SARS-CoV-2 的斗争中,最重要的挑战之一是对病毒发病机制的微妙识别。广泛的 COVID-19 临床表现可能表明病毒宿主细胞的多样性。在主要表现中,特别是在严重的 COVID-19 患者中,可以看到淋巴细胞、单核细胞、嗜碱性粒细胞和树突状细胞减少和/或耗尽。因此,需要认识到病毒是如何感染细胞的。有趣的是,血管紧张素转换酶 2 (ACE2) 作为 SARS-CoV-2 的众所周知的受体,在这些细胞中表达很低或不表达。使用计算方法,包括在大多数免疫细胞谱系中表达的白细胞表面分子和趋化因子受体在内的几种候选受体被评估为 SARS-CoV-2 刺突受体结合域 (RBD) 的可行受体。结果显示,与 ACE2 相比,CD26、CD2、CD56、CD7、CCR9、CD150、CD4、CD50、XCR1 和 CD106 具有更高的结合亲和力。然而,与刺突的 RBD 结构域相互作用所涉及的结合模式和氨基酸是多种多样的。总体而言,免疫受体候选物与 SARS-CoV-2 RBD 结合的亲和力可能有助于深入了解与 COVID-19 相关的新型治疗靶点的识别。与刺突的 RBD 结构域相互作用所涉及的结合模式和氨基酸是多种多样的。总体而言,免疫受体候选物与 SARS-CoV-2 RBD 结合的亲和力可能有助于深入了解与 COVID-19 相关的新型治疗靶点的识别。与刺突的 RBD 结构域相互作用所涉及的结合模式和氨基酸是多种多样的。总体而言,免疫受体候选物与 SARS-CoV-2 RBD 结合的亲和力可能有助于深入了解与 COVID-19 相关的新型治疗靶点的识别。

更新日期:2021-08-01
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