Literature DB >> 35395667

Significance of the RBD mutations in the SARS-CoV-2 omicron: from spike opening to antibody escape and cell attachment.

Md Lokman Hossen1, Prabin Baral1, Tej Sharma1, Bernard Gerstman1,2, Prem Chapagain1,2.   

Abstract

We computationally investigated the role of the omicron RBD mutations on its structure and interactions with the surrounding domains in the spike trimer as well as with ACE2. Our results suggest that, compared to WT and delta, the mutations in the omicron RBD facilitate a more efficient RBD "down" to "up" conformation as well as ACE2 attachment. These effects, combined with antibody evasion, may have contributed to its dominance over delta.

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Year:  2022        PMID： 35395667     DOI： 10.1039/d2cp00169a

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN： 1463-9076            Impact factor:   3.676


  6 in total

1.  Integrins as Therapeutic Targets for SARS-CoV-2.

Authors:  Timothy E Gressett; Danielle Nader; Juan Pablo Robles; Tione Buranda; Steven W Kerrigan; Gregory Bix
Journal:  Front Cell Infect Microbiol       Date:  2022-04-29       Impact factor: 6.073

2.  Molecular Cross-Talk between Integrins and Cadherins Leads to a Loss of Vascular Barrier Integrity during SARS-CoV-2 Infection.

Authors:  Danielle Nader; Steve W Kerrigan
Journal:  Viruses       Date:  2022-04-25       Impact factor: 5.818

3.  An adjusted ELISpot-based immunoassay for evaluation of SARS-CoV-2-specific T-cell responses.

Authors:  Hao Lin; Jie Zhang; Shaobo Dong; Yaning Liu; Peipei Liu; George F Gao; William J Liu; Guizhen Wu
Journal:  Biosaf Health       Date:  2022-04-28

4.  Computer Simulations and Network-Based Profiling of Binding and Allosteric Interactions of SARS-CoV-2 Spike Variant Complexes and the Host Receptor: Dissecting the Mechanistic Effects of the Delta and Omicron Mutations.

Authors:  Gennady Verkhivker; Steve Agajanian; Ryan Kassab; Keerthi Krishnan
Journal:  Int J Mol Sci       Date:  2022-04-15       Impact factor: 6.208

5.  Integrating Conformational Dynamics and Perturbation-Based Network Modeling for Mutational Profiling of Binding and Allostery in the SARS-CoV-2 Spike Variant Complexes with Antibodies: Balancing Local and Global Determinants of Mutational Escape Mechanisms.

Authors:  Gennady Verkhivker; Steve Agajanian; Ryan Kassab; Keerthi Krishnan
Journal:  Biomolecules       Date:  2022-07-10

6.  Probing Mechanisms of Binding and Allostery in the SARS-CoV-2 Spike Omicron Variant Complexes with the Host Receptor: Revealing Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Communication with Allosteric Pockets.

Authors:  Gennady Verkhivker; Steve Agajanian; Ryan Kassab; Keerthi Krishnan
Journal:  Int J Mol Sci       Date:  2022-09-29       Impact factor: 6.208
  6 in total

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