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Record W4280582199 · doi:10.21203/rs.3.rs-1585804/v1

Impact of the Temperature on the Interactions Between Common Variants of the SARS-CoV-2 Receptor Binding Domain and the Human ACE2

2022· preprint· en· W4280582199 on OpenAlexafffund
Catherine Forest‐Nault, Izel Koyuturk, Jimmy Gaudreault, Alex Pelletier, Denis L’Abbé, Brian Cass, Louis Bisson, Alina Burlacu, Laurence Delafosse, Matthew Stuible, Olivier Henry, Grégory De Crescenzo, Yves Durocher

Bibliographic record

VenueResearch Square · 2022
Typepreprint
Languageen
FieldMedicine
TopicSARS-CoV-2 and COVID-19 Research
Canadian institutionsNational Research Council CanadaPolytechnique Montréal
FundersNatural Sciences and Engineering Research Council of CanadaCanada First Research Excellence Fund
KeywordsSurface plasmon resonanceMutationReceptorChemistryBinding siteMolecular biologyBiophysicsBiologyBiochemistryGeneNanotechnologyMaterials science

Abstract

fetched live from OpenAlex

Abstract Several key mutations in the Spike protein receptor binding domain (RBD) have been identified to influence its affinity for the human Angiotensin-Converting Enzyme 2 (ACE2). Here, we perform a comparative study of the ACE2 binding to the wild type (Wuhan) RBD and some of its variants: Alpha B.1.1.7, Beta B.1.351, Delta B.1.617.2, Kappa B.1.617.1, B.1.1.7+L452R and Omicron B.1.1.529. Using a coiled-coil mediated tethering approach of ACE2 in a novel surface plasmon resonance (SPR)-based assay, we measured interactions at different temperatures. Binding experiments at 10°C enhanced the kinetic dissimilarities between the RBD variants and allowed a proper fit to a Langmuir 1:1 model with high accuracy and reproducibility. The Omicron RBD variant has the highest affinity for ACE2, followed by the Alpha (N501Y) and Beta (K417N, E484K, N501Y) variants. However, variants with the L452R mutation, i.e. the B.1.1.7+L452R (L452R, N501Y; which we called AlphaP), Delta (L452R, T478K) and Kappa (L452R, E484Q) showed faster kinetics resulting in significatively lower affinities compared to the other variants. Our study emphasizes the importance of SPR-based assay parameters in the acquisition of quality data and offers a powerful tool to deepen our understanding of the role of the various RBD mutations in ACE2 interaction binding parameters.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.119
GPT teacher head0.472
Teacher spread0.353 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations2
Published2022
Admission routes2
Has abstractyes

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