作者
Soumya Lipsa Rath, Aditya K. Padhi, Mandal Nabanita
发表日期
2022/1/6
期刊
Biochemical and Biophysical Research Communications
卷号
592
页码范围
18-23
出版商
Elsevier
简介
The emergence of new SARS-CoV-2 variants poses a threat to the human population where it is difficult to assess the severity of a particular variant of the virus. Spike protein and specifically its receptor binding domain (RBD) which makes direct interaction with the ACE2 receptor of the human has shown prominent amino acid substitutions in most of the Variants of Concern. Here, by using all-atom molecular dynamics simulations we compare the interaction of Wild-type RBD/ACE2 receptor complex with that of the latest Omicron variant of the virus. We observed a very interesting diversification of the charge, dynamics and energetics of the protein complex formed upon mutations. These results would help us in understanding the molecular basis of binding of the Omicron variant with that of SARS-CoV-2 Wild-type.
引用总数
学术搜索中的文章
SL Rath, AK Padhi, N Mandal - Biochemical and biophysical research communications, 2022