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RBD-ACE2 binding properties in live SARS-CoV-2 variants of concern with new perspectives in the design of pan-coronavirus peptide inhibitors

JOURNAL OF INFECTION (2023)

SARS-CoV-2 Omicron variant: Antibody evasion and cryo-EM structure of spike protein-ACE2 complex

Dhiraj Mannar et al.

Summary: The newly reported Omicron variant shows new salt bridges and hydrogen bonds formed by mutated residues in the receptor binding domain, compensating for reduced ACE2 binding affinity. It also exhibits increased antibody evasion, which likely contributes to its rapid spread.

SCIENCE (2022)

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Article Biochemical Research Methods

Comparison of the binding characteristics of SARS-CoV and SARS-CoV-2 RBDs to ACE2 at different temperatures by MD simulations

Fang-Fang Yan et al.

Summary: The study showed that at different temperatures, the structure of SARS-CoV-2 RBD was more stable and had stronger binding ability to ACE2 compared to SARS-CoV RBD, mainly due to electrostatic and polar interactions. Additionally, the key differential residues and their interaction mechanisms at various temperatures were analyzed and compared in depth.

BRIEFINGS IN BIOINFORMATICS (2021)

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Article Infectious Diseases

Structural dynamics of SARS-CoV-2 variants: A health monitoring strategy for anticipating Covid-19 outbreaks

Jacques Fantini et al.

Summary: This study aimed to predict the transmissibility of SARS-CoV-2 variants by analyzing genomic sequence data. The researchers found that the NTD and RBD domains of the spike protein synergistically affect virus adhesion, leading to mutations in both domains in most variants. They introduced a transmissibility index (T-index) based on the kinetic and affinity parameters of coronavirus binding to host cells, which can predict the dissemination of each variant in animal and human populations.

JOURNAL OF INFECTION (2021)

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Article Biochemistry & Molecular Biology

Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2

Qihui Wang et al.

CELL (2020)

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Article Biochemistry & Molecular Biology

mCSM-PPI2: predicting the effects of mutations on protein-protein interactions

Carlos H. M. Rodrigues et al.

NUCLEIC ACIDS RESEARCH (2019)

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Article Biochemistry & Molecular Biology

Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations

Jianzhong Chen et al.

NUCLEIC ACIDS RESEARCH (2019)

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RBD-ACE2 binding properties in live SARS-CoV-2 variants of concern with new perspectives in the design of pan-coronavirus peptide inhibitors

相关参考文献

SARS-CoV-2 Omicron variant: Antibody evasion and cryo-EM structure of spike protein-ACE2 complex

Comparison of the binding characteristics of SARS-CoV and SARS-CoV-2 RBDs to ACE2 at different temperatures by MD simulations

Structural dynamics of SARS-CoV-2 variants: A health monitoring strategy for anticipating Covid-19 outbreaks

Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2

mCSM-PPI2: predicting the effects of mutations on protein-protein interactions

Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations

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