ArticleJournal of biomolecular structure & dynamics2022
Structural genetics of circulating variants affecting the SARS-CoV-2 spike/human ACE2 complex.
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 26 papers.
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Who cites it
26 citing papers in PubMed, 57 citations in OpenAlex.
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- Strategies and Trends in COVID-19 Vaccination Delivery: What We Learn and What We May Use for the Future.Vaccines · 2023Article
- Analysis of age-dependent gene-expression in human tissues for studying diabetes comorbidities.Scientific reports · 2023Article
- HSV-1 Glycoprotein D and Its Surface Receptors: Evaluation of Protein-Protein Interaction and Targeting by Triazole-Based Compounds through In Silico Approaches.International journal of molecular sciences · 2023Article
- Interactions of angiotensin-converting enzyme-2 (ACE2) and SARS-CoV-2 spike receptor-binding domain (RBD): a structural perspective.Molecular biology reports · 2023Review
- Computational analysis of the sequence-structure relation in SARS-CoV-2 spike protein using protein contact networks.Scientific reports · 2023Article
- SARS-CoV-2 protein structure and sequence mutations: Evolutionary analysis and effects on virus variants.PloS one · 2023Article
- Impact of Toll-Like Receptor 2 and 9 Gene Polymorphisms on COVID-19: Susceptibility, Severity, and Thrombosis.Journal of inflammation research · 2023Article
- Temporal networks in biology and medicine: a survey on models, algorithms, and tools.Network modeling and analysis in health informatics and bioinformatics · 2023Review
- Structural analysis of SARS-CoV-2 Spike protein variants through graph embedding.Network modeling and analysis in health informatics and bioinformatics · 2023Article
- Ferritin Heavy Chain Binds Peroxiredoxin 6 and Inhibits Cell Proliferation and Migration.International journal of molecular sciences · 2022Article
- Host genetic diversity and genetic variations of SARS-CoV-2 in COVID-19 pathogenesis and the effectiveness of vaccination.International immunopharmacology · 2022Review
- Design and Implementation of a New Local Alignment Algorithm for Multilayer Networks.Entropy (Basel, Switzerland) · 2022Article
- Molecular variants of SARS-CoV-2: antigenic properties and current vaccine efficacy.Medical microbiology and immunology · 2022Review
- Diagnostic pre-screening method based on N-gene dropout or delay to increase feasibility of SARS-CoV-2 VOC B.1.1.7 detection.Diagnostic microbiology and infectious disease · 2021Article
- Structural and functional insights into the spike protein mutations of emerging SARS-CoV-2 variants.Cellular and molecular life sciences : CMLS · 2021Review
- Neutralising antibody escape of SARS-CoV-2 spike protein: Risk assessment for antibody-based Covid-19 therapeutics and vaccines.Reviews in medical virology · 2021Review
- Analyzing host-viral interactome of SARS-CoV-2 for identifying vulnerable host proteins during COVID-19 pathogenesis.Infection, genetics and evolution : journal of molecular epidemiology and evolutionary genetics in infectious diseases · 2021Article
- Preliminary report on severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) Spike mutation T478K.Journal of medical virology · 2021Article
Corrections and comments
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Authors and funding
4 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
SARS-CoV-2 entry in human cells is mediated by the interaction between the viral Spike protein and the human ACE2 receptor. This mechanism evolved from the ancestor bat coronavirus and is currently one of the main targets for antiviral strategies. However, there currently exist several Spike protein variants in the SARS-CoV-2 population as the result of mutations, and it is unclear if these variants may exert a specific effect on the affinity with ACE2 which, in turn, is also characterized by multiple alleles in the human population. In the current study, the GBPM analysis, originally developed for highlighting host-guest interaction features, has been applied to define the key amino acids responsible for the Spike/ACE2 molecular recognition, using four different crystallographic structures. Then, we intersected these structural results with the current mutational status, based on more than 295,000 sequenced cases, in the SARS-CoV-2 population. We identified several Spike mutations interacting with ACE2 and mutated in at least 20 distinct patients: S477N, N439K, N501Y, Y453F, E484K, K417N, S477I and G476S. Among these, mutation N501Y in particular is one of the events characterizing SARS-CoV-2 lineage B.1.1.7, which has recently risen in frequency in Europe. We also identified five ACE2 rare variants that may affect interaction with Spike and susceptibility to infection: S19P, E37K, M82I, E329G and G352V.Communicated by Ramaswamy H. Sarma.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.