ArticleInternational journal of molecular sciences2021
Possible Link between Higher Transmissibility of Alpha, Kappa and Delta Variants of SARS-CoV-2 and Increased Structural Stability of Its Spike Protein and hACE2 Affinity.
Article in International journal of molecular sciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 58 papers, 2 of them syntheses that pooled it.
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Who cites it
58 citing papers in PubMed, 2 syntheses or guidelines pooled it.
- SARS-CoV-2 cell entry beyond the ACE2 receptor.Molecular biology reports · 2022Pooled it
- Pooled it
- Molecular mechanisms of SARS-CoV-2 entry: implications for biomedical strategies.Microbiology and molecular biology reviews : MMBR · 2025Review
- Viral entry mechanisms: the role of molecular simulation in unlocking a key step in viral infections.FEBS open bio · 2025Review
- From Alpha to Omicron and Beyond: Associations Between SARS-CoV-2 Variants and Surgical Outcomes.The Journal of surgical research · 2024Article
- Mutations in the SARS-CoV-2 spike receptor binding domain and their delicate balance between ACE2 affinity and antibody evasion.Protein & cell · 2024Review
- Anti-COVID-19 Potential of Withaferin-A and Caffeic Acid Phenethyl Ester.Current topics in medicinal chemistry · 2024Article
- Vaccination reduces viral load and accelerates viral clearance in SARS-CoV-2 Delta variant-infected patients.Annals of medicine · 2023Article
- Comparative Computational Analysis of Spike Protein Structural Stability in SARS-CoV-2 Omicron Subvariants.International journal of molecular sciences · 2023Article
- Review
- Impact of E484Q and L452R Mutations on Structure and Binding Behavior of SARS-CoV-2 B.1.617.1 Using Deep Learning AlphaFold2, Molecular Docking and Dynamics Simulation.International journal of molecular sciences · 2023Article
- A SARS-CoV-2: Companion Animal Transmission and Variants Classification.Pathogens (Basel, Switzerland) · 2023Review
- SARS-CoV-2 variant evasion of monoclonal antibodies based on in vitro studies.Nature reviews. Microbiology · 2023Review
- Sequence analysis of SARS-CoV-2 Delta variant isolated from Makassar, South Sulawesi, Indonesia.Heliyon · 2023Article
- Exploration of the COVID-19 pandemic at the neighborhood level in an intra-urban setting.Frontiers in public health · 2023Article
- Article
- Assessing the evolution of SARS-CoV-2 lineages and the dynamic associations between nucleotide variations.Access microbiology · 2023Article
- Production and characterization of lentivirus vector-based SARS-CoV-2 pseudoviruses with dual reporters: Evaluation of anti-SARS-CoV-2 viral effect of Korean Red Ginseng.Journal of ginseng research · 2023Article
- Mutations of SARS-CoV-2 and their impact on disease diagnosis and severity.Informatics in medicine unlocked · 2023Review
- Advanced Plasmonic Nanoparticle-Based Techniques for the Prevention, Detection, and Treatment of Current COVID-19.Plasmonics (Norwell, Mass.) · 2023Review
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) outbreak in December 2019 has caused a global pandemic. The rapid mutation rate in the virus has created alarming situations worldwide and is being attributed to the false negativity in RT-PCR tests. It has also increased the chances of reinfection and immune escape. Recently various lineages namely, B.1.1.7 (Alpha), B.1.617.1 (Kappa), B.1.617.2 (Delta) and B.1.617.3 have caused rapid infection around the globe. To understand the biophysical perspective, we have performed molecular dynamic simulations of four different spikes (receptor binding domain)-hACE2 complexes, namely wildtype (WT), Alpha variant (N501Y spike mutant), Kappa (L452R, E484Q) and Delta (L452R, T478K), and compared their dynamics, binding energy and molecular interactions. Our results show that mutation has caused significant increase in the binding energy between the spike and hACE2 in Alpha and Kappa variants. In the case of Kappa and Delta variants, the mutations at L452R, T478K and E484Q increased the stability and intra-chain interactions in the spike protein, which may change the interaction ability of neutralizing antibodies to these spike variants. Further, we found that the Alpha variant had increased hydrogen interaction with Lys353 of hACE2 and more binding affinity in comparison to WT. The current study provides the biophysical basis for understanding the molecular mechanism and rationale behind the increase in the transmissivity and infectivity of the mutants compared to wild-type SARS-CoV-2.
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