Coppola Francesco, Pavlíček Tomáš, Král Petr
Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois 60607, United States.
Institute of Evolution, University of Haifa, Haifa 3498838, Israel.
ACS Omega. 2024 Feb 15;9(8):9295-9299. doi: 10.1021/acsomega.3c08481. eCollection 2024 Feb 27.
The COVID-19 infection has been more problematic for individuals with certain health predispositions. Coronaviruses could also interfere with neural diseases if the viruses succeed in entering the brain. Therefore, it might be of principal interest to examine a possible coupling of coronaviruses and amyloid fibrils. Here, molecular dynamics simulations were used to investigate direct coupling of SARS-CoV-2 and Aβ fibrils, which play a central role in neural diseases. The simulations revealed several stable binding configurations and their dynamics of Aβ42 fibrils attached to spike proteins of the Omicron and Alpha variants of SARS-CoV-2.
对于某些有健康易感性的个体而言,新冠病毒感染带来了更多问题。如果冠状病毒成功进入大脑,它们也可能干扰神经疾病。因此,研究冠状病毒与淀粉样纤维之间可能存在的关联或许具有重要意义。在此,利用分子动力学模拟来研究严重急性呼吸综合征冠状病毒2(SARS-CoV-2)与淀粉样β蛋白(Aβ)纤维之间的直接关联,Aβ纤维在神经疾病中起着核心作用。模拟结果揭示了几种稳定的结合构型以及与SARS-CoV-2奥密克戎变种和阿尔法变种刺突蛋白相连的Aβ42纤维的动力学情况。