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Pinpointing The Structural Dynamics of Plasminogen Activator Inhibitor -1 upon binding to Heparin using Hydrogen/Deuterium Exchange Mass Spectrometry

2023· preprint· en· W4377094598 on OpenAlexafffund
Marwa ElSabaawy, Joseph F. Anacleto, Derek J. Wilson

Bibliographic record

Venuenot available
Typepreprint
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtease and Inhibitor Mechanisms
Canadian institutionsYork University
FundersNatural Sciences and Engineering Research Council of CanadaMitacs
KeywordsChemistryVitronectinHydrogen–deuterium exchangePlasminogen activator inhibitor-1FibrinolysisPlasminogen activatorBiophysicsHeparinBiochemistryMass spectrometryReceptorChromatographyInternal medicineEndocrinologyBiologyIntegrin

Abstract

fetched live from OpenAlex

The native conformation of plasminogen activator inhibitor (PAI-1) is an active metastable structure that transforms spontaneously to an inactive latent form within 1-2 hrs under physiological conditions. PAI-1 is a key player to regulate the activation of fibrinolysis, with broad influence effects on inflammation, hemostasis, tissue remodeling, and wound healing 1 . The binding of endogenous cofactor vitronectin to PAI-1 causes delaying in the transition to the latent state and significantly boosts the protein's thermal stability 2 . This binding helps to extend PAI-1 half-life and delay its latency transition thus controlling the stability of the active form. Previous studies have suggested that low molecular weight heparin alters the levels of circulating PAI-1 and enhances endogenous fibrinolysis 3 . However, the intrinsic dynamics of this binding are not completely understood. We have used hydrogen/deuterium exchange mass spectrometry to elucidate the structural dynamics of PAI-1 and heparin binding. Heparin binding to PAI-1 induces significant attenuation of deuterium uptake in PAI-1. The strongest protection against isotopic exchange is observed in the lower half of PAI-1. Peptides covering the heparin binding interface are shielded from the solvent and show a slow exchange rate. In addition, we observed a moderate effect on the peptides remote from the heparin binding site. These peptides are topographically connected in a circle-like shape around the vertical axis of the protein structure. Our findings reveal that heparin may contribute to the localization of PAI-1 at specific sites, hence involved in the regulation of plasminogen activation and its functional stability.

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)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.001
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0010.001
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 head0.025
GPT teacher head0.272
Teacher spread0.247 · 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 designBench or experimental
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

Citations0
Published2023
Admission routes2
Has abstractyes

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