Predicting pathological von Willebrand factor unraveling in elongational flow.
Journal
Biophysical journal
ISSN: 1542-0086
Titre abrégé: Biophys J
Pays: United States
ID NLM: 0370626
Informations de publication
Date de publication:
18 05 2021
18 05 2021
Historique:
received:
09
09
2020
revised:
05
03
2021
accepted:
10
03
2021
pubmed:
20
3
2021
medline:
3
7
2021
entrez:
19
3
2021
Statut:
ppublish
Résumé
The globular-to-unraveled conformation transition of von Willebrand factor (vWF), a large polymeric glycoprotein in human blood plasma, is a crucial step in the process of clotting at sites of vascular injury. However, unraveling of vWF multimers in uninjured vasculature can lead to pathology (i.e., thrombus formation or degradation of vWF proteins by enzyme ADAMTS13, making them nonfunctional). To identify blood flow conditions that might induce pathological unraveling of vWF multimers, here we have computed the globular-to-unraveled transition rate of vWF multimers subjected to varying strain rate elongational flow by employing an enhanced sampling technique, the weighted ensemble method. Weighted ensemble sampling was employed instead of standard brute-force simulations because pathological blood flow conditions can induce undesired vWF unraveling on timescales potentially inaccessible to standard simulation methods. Results here indicate that brief but periodic exposure of vWF to the elongational flow of strain rate greater than or equal to 2500 s
Identifiants
pubmed: 33737157
pii: S0006-3495(21)00237-X
doi: 10.1016/j.bpj.2021.03.008
pmc: PMC8204344
pii:
doi:
Substances chimiques
von Willebrand Factor
0
ADAMTS13 Protein
EC 3.4.24.87
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.
Langues
eng
Sous-ensembles de citation
IM
Pagination
1903-1915Subventions
Organisme : NHLBI NIH HHS
ID : R21 HL152348
Pays : United States
Informations de copyright
Published by Elsevier Inc.
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