Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, 02-668 Warsaw, Poland.
Institute of Fundamental and Applied Sciences, Duy Tan University, Ho Chi Minh City 700000, Vietnam.
Chem Soc Rev. 2023 Sep 18;52(18):6497-6553. doi: 10.1039/d1cs01170g.
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of the devastating global COVID-19 pandemic announced by WHO in March 2020. Through unprecedented scientific effort, several vaccines, drugs and antibodies have been developed, saving millions of lives, but the fight against COVID-19 continues as immune escape variants of concern such as Delta and Omicron emerge. To develop more effective treatments and to elucidate the side effects caused by vaccines and therapeutic agents, a deeper understanding of the molecular interactions of SARS-CoV-2 with them and human cells is required. With special interest in computational approaches, we will focus on the structure of SARS-CoV-2 and the interaction of its spike protein with human angiotensin-converting enzyme-2 (ACE2) as a prime entry point of the virus into host cells. In addition, other possible viral receptors will be considered. The fusion of viral and human membranes and the interaction of the spike protein with antibodies and nanobodies will be discussed, as well as the effect of SARS-CoV-2 on protein synthesis in host cells.
严重急性呼吸综合征冠状病毒 2（SARS-CoV-2）是世界卫生组织（WHO）于 2020 年 3 月宣布的毁灭性全球 COVID-19 大流行的病原体。通过前所未有的科学努力，已经开发出几种疫苗、药物和抗体，挽救了数百万人的生命，但随着 Delta 和 Omicron 等令人关注的免疫逃逸变体的出现，抗击 COVID-19 的斗争仍在继续。为了开发更有效的治疗方法，并阐明疫苗和治疗剂引起的副作用，需要更深入地了解 SARS-CoV-2 与其和人类细胞的分子相互作用。我们对计算方法特别感兴趣，将重点研究 SARS-CoV-2 的结构及其刺突蛋白与人类血管紧张素转化酶 2（ACE2）的相互作用，因为这是病毒进入宿主细胞的主要切入点。此外，还将考虑其他可能的病毒受体。将讨论病毒和人类膜的融合以及刺突蛋白与抗体和纳米抗体的相互作用，以及 SARS-CoV-2 对宿主细胞蛋白质合成的影响。
