Structure–function analysis of resistance to bamlanivimab by SARS-CoV-2 variants Kappa, Delta, and Lambda

S Liu, T Huynh, CB Stauft, TT Wang… - Journal of Chemical …, 2021 - ACS Publications
The newly emerging Kappa, Delta, and Lambda SARS-CoV-2 variants are worrisome,
characterized with the double mutations E484Q/L452R, T478K/L452R, and F490S/L452Q …

Insights from computational analysis: how does the SARS-CoV-2 Delta (B. 1.617. 2) variant hijack ACE2 more effectively?

D Xiong, X Zhao, S Luo, L Duan - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
The SARS-CoV-2 Delta (B. 1.617. 2) variant was identified in India in October 2020, and it
has quickly become the mainstream strain with strong toxicity and spread, posing great …

Immune escape mechanisms of SARS-CoV-2 delta and omicron variants against two monoclonal antibodies that received emergency use authorization

D Xiong, X Zhao, S Luo, Y Cong… - The Journal of …, 2022 - ACS Publications
Multiple-site mutated SARS-CoV-2 Delta and Omicron variants may trigger immune escape
against existing monoclonal antibodies. Here, molecular dynamics simulations combined …

Combined antibodies evusheld against the sars-cov-2 omicron variants ba. 1.1 and ba. 5: immune escape mechanism from molecular simulation

J Zhang, Y Cong, L Duan… - Journal of Chemical …, 2023 - ACS Publications
The Omicron lineage of SARS-CoV-2, which was first reported in November 2021, has
spread globally and become dominant, splitting into several sublineages. Experiments have …

Structural evolution of Delta lineage of SARS-CoV-2

MM Gomari, P Tarighi, E Choupani, S Abkhiz… - International journal of …, 2023 - Elsevier
One of the main obstacles in prevention and treatment of COVID-19 is the rapid evolution of
the SARS-CoV-2 Spike protein. Given that Spike is the main target of common treatments of …

Allosteric signal within the receptor-binding domain of the SARS-CoV-2 spike protein mediated by a class 3 monoclonal antibody revealed through molecular …

P Boonserm, W Somsoros, P Khunrae, K Charupanit… - ACS …, 2024 - ACS Publications
This study investigated the allosteric action within the receptor-binding domain (RBD) of the
SARS-CoV-2 spike protein caused by class 3 monoclonal antibody (mAb) binding. As the …

Exploring the immune evasion of SARS-CoV-2 variant harboring E484K by molecular dynamics simulations

L Wu, C Peng, Y Yang, Y Shi, L Zhou… - Briefings in …, 2022 - academic.oup.com
Although the current coronavirus disease 2019 (COVID-19) vaccines have been used
worldwide to halt spread of the severe acute respiratory syndrome coronavirus 2 (SARS …

The SARS-CoV-2 B. 1.618 variant slightly alters the spike RBD–ACE2 binding affinity and is an antibody escaping variant: a computational structural perspective

A Khan, J Gui, W Ahmad, I Haq, M Shahid, AA Khan… - RSC …, 2021 - pubs.rsc.org
Continuing reports of new SARS-CoV-2 variants have caused worldwide concern and
created a challenging situation for clinicians. The recently reported variant B. 1.618, which …

E484K mutation in SARS-CoV-2 RBD enhances binding affinity with hACE2 but reduces interactions with neutralizing antibodies and nanobodies: Binding free energy …

WB Wang, Y Liang, YQ Jin, J Zhang, JG Su… - Journal of Molecular …, 2021 - Elsevier
The pandemic of the COVID-19 disease caused by SARS-CoV-2 has led to more than 200
million infections and over 4 million deaths worldwide. The progress in the developments of …

Electrostatic interactions explain the higher binding affinity of the CR3022 antibody for SARS-CoV-2 than the 4A8 antibody

H Nguyen, PD Lan, DA Nissley… - The Journal of …, 2021 - ACS Publications
A structural understanding of the mechanism by which antibodies bind SARS-CoV-2 at the
atomic level is highly desirable as it can tell the development of more effective antibodies to …