Comparing the binding interactions in the receptor binding domains of SARS-CoV-2 and SARS-CoV

M Amin, MK Sorour, A Kasry - The journal of physical chemistry …, 2020 - ACS Publications
… the total binding energy between ACE2 and SARS-CoV-2 is higher than in the case of
SARS-CoV, because of enhanced electrostatic interactions induced by the SARS-CoV-2 mutations…

Characterization of heparin and severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) spike glycoprotein binding interactions

SY Kim, W Jin, A Sood, DW Montgomery, OC Grant… - Antiviral research, 2020 - Elsevier
… ’ proteolytic cleavage site, S810–S816), we hypothesized that SARS-CoV-2 may also interact
with host cell surface GAGs through its SGPs to invade host cell (Fig. 1, S2, and S3). The …

Molecular interaction and inhibition of SARS-CoV-2 binding to the ACE2 receptor

J Yang, SJL Petitjean, M Koehler, Q Zhang… - Nature …, 2020 - nature.com
… In conclusion, we investigated the interaction established between the SARS-CoV-2 S …
binding mechanism between the S1 subunit and the ACE2 receptor. By comparing the binding of …

SARS-CoV-2 spike protein interactions with amyloidogenic proteins: Potential clues to neurodegeneration

D Idrees, V Kumar - Biochemical and biophysical research communications, 2021 - Elsevier
… shown that the SARS-CoV-2 S1 RBD binds to a … interactions of SARS-CoV-2 S1 RBD to
different amyloid forming proteins including Aβ, α-synuclein, tau, prions, and TAR DNA binding

Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and hydrophobic interactions

Y Wang, M Liu, J Gao - Proceedings of the National …, 2020 - National Acad Sciences
binding and affinity difference between SARS-CoV-2 and SARS-CoV, we focus on specific
amino acid interactions in the three key binding contact regions (Fig. 1A). Although many …

SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies

CO Barnes, CA Jette, ME Abernathy, KMA Dam… - Nature, 2020 - nature.com
… among RBD-binding human NAbs isolated from COVID-19-convalescent individuals 5 , we
… favourable ACE2 binding to the SARS-CoV-2 RBD 42 . Analysis of interactions by C144, …

[HTML][HTML] The new SARS-CoV-2 strain shows a stronger binding affinity to ACE2 due to N501Y mutant

F Ali, A Kasry, M Amin - Medicine in drug discovery, 2021 - Elsevier
… -host cells fusion and hence the infectivity of the virus [5,[12], [… SARS-CoV2 can alter the
binding of the virus to ACE2. We focus on the role of the electrostatic interactions on the binding

In silico studies on the comparative characterization of the interactions of SARSCoV2 spike glycoprotein with ACE‐2 receptor homologs and human TLRs

A Choudhury, S Mukherjee - Journal of medical virology, 2020 - Wiley Online Library
… We have observed different degrees of binding interactions between spike protein and its
receptor (ACE2) from human and two of the most suspected zoonotic hosts/reservoirs (Figure 3…

[HTML][HTML] Spike proteins of SARS-CoV and SARS-CoV-2 utilize different mechanisms to bind with human ACE2

Y Xie, CB Karki, D Du, H Li, J Wang… - Frontiers in molecular …, 2020 - frontiersin.org
… In this work, we utilize comprehensive approaches to study the SARS-CoV-2-ACE2
interactions from several perspectives such as the electrostatic surfaces, electric field lines and …

Machine learning reveals the critical interactions for SARS-CoV-2 spike protein binding to ACE2

A Pavlova, Z Zhang, A Acharya, DL Lynch… - The journal of …, 2021 - ACS Publications
… Global Interactions between RBD and ACE2. To discriminate between the binding of the
SARS-CoV and SARS-CoV-2 RBDs to ACE2, we ran two 2-μs simulations, starting each from …