ArticleJournal of biomolecular structure & dynamics2022
Insights into the structural and dynamical changes of spike glycoprotein mutations associated with SARS-CoV-2 host receptor binding.
Article in Journal of biomolecular structure & dynamics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed, 39 citations in OpenAlex.
- Identification of potential SARS-CoV-2 MJournal of computer-aided molecular design · 2026Article
- Network Pharmacology, Molecular Docking, and Experimental Validation of the Mechanism of Jeduxiaoliu Formula against Diffuse Large B-Cell Lymphoma.Combinatorial chemistry & high throughput screening · 2025Article
- Three-Dimensional Structural Stability and Local Electrostatic Potential at Point Mutations in Spike Protein of SARS-CoV-2 Coronavirus.International journal of molecular sciences · 2024Article
- Investigation of the effects ofComputational & theoretical chemistry · 2023Article
- The basis of mink susceptibility to SARS-CoV-2 infection.Journal of applied genetics · 2022Review
- Structural bases for the higher adherence to ACE2 conferred by the SARS-CoV-2 spike Q498Y substitution.Acta crystallographica. Section D, Structural biology · 2022Article
- Isolation and In Silico Inhibitory Potential against SARS-CoV-2 RNA Polymerase of the Rare Kaempferol 3-Plants (Basel, Switzerland) · 2022Article
- The influence of new SARS-CoV-2 variant Omicron (B.1.1.529) on vaccine efficacy, its correlation to Delta variants: A computational approach.Microbial pathogenesis · 2022Article
- A Drug Discovery Approach for an Effective Pain Therapy through Selective Inhibition of Nav1.7.International journal of molecular sciences · 2022Article
- Insights into the structure and dynamics of SARS-CoV-2 spike glycoprotein double mutant L452R-E484Q.3 Biotech · 2022Article
- Design and Immunological Properties of the Novel Subunit Virus-like Vaccine against SARS-CoV-2.Vaccines · 2022Article
- Functional binding dynamics relevant to the evolution of zoonotic spillovers in endemic and emergentJournal of biomolecular structure & dynamics · 2022Article
- An outbreak of SARS-CoV-2 with high mortality in mink (Neovison vison) on multiple Utah farms.PLoS pathogens · 2021Article
- Molecular biology of the SARs-CoV-2 spike protein: A review of current knowledge.Journal of medical virology · 2021Review
- Article
- A focus on the spread of the delta variant of SARS-CoV-2 in India.The Indian journal of medical research · 2021Article
- Mutations in SARS-CoV-2; Consequences in structure, function, and pathogenicity of the virus.Microbial pathogenesis · 2021Review
- Functional binding dynamics relevant to the evolution of zoonotic spillovers in endemic and emergentbioRxiv : the preprint server for biology · 2021Article
- Review
- Bioinformatics Analysis Unveils Certain Mutations Implicated in Spike Structure Damage and Ligand-Binding Site of Severe Acute Respiratory Syndrome Coronavirus 2.Bioinformatics and biology insights · 2021Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Novel Coronavirus or SARS-CoV-2 has received worldwide attention due to the COVID-19 pandemic, which originated in Wuhan, China leading to thousands of deaths to date. The SARS-CoV-2 Spike glycoprotein protein is one of the main focus of COVID-19 related research as it is a structural protein that facilitates its attachment, entry, and infection to the host cells. We have focused our work on mutations in two of the several functional domains in the virus spike glycoprotein, namely, receptor-binding domain (RBD) and heptad repeat 1 (HR1) domain. These domains are majorly responsible for the stability of spike glycoprotein and play a key role in the host cell attachment and infection. In our study, several mutations like R408I, L455Y, F486L, Q493N, Q498Y, N501T of RBD (319-591), and A930V, D936Y of HR1 (912-984) have been studied to examine its role on the spike glycoprotein native structure. Comparisons of MD simulations in the WT and mutants revealed a significant de-stabilization effect of the mutations on RBD and HR1 domains. We have investigated the impact of mapped mutations on the stability of the spike glycoprotein, before binding to the receptor, which may be consequential to its binding properties to the receptor and other ligands.Communicated by Ramaswamy H. Sarma.
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