Multiscale computational modeling of the effects of 2'-deoxy-ATP on cardiac muscle calcium handling.
Journal
Journal of applied physics
ISSN: 0021-8979
Titre abrégé: J Appl Phys
Pays: United States
ID NLM: 2985119R
Informations de publication
Date de publication:
21 Aug 2023
21 Aug 2023
Historique:
received:
12
05
2023
accepted:
27
07
2023
pmc-release:
21
08
2024
medline:
21
8
2023
pubmed:
21
8
2023
entrez:
21
8
2023
Statut:
ppublish
Résumé
2'-Deoxy-ATP (dATP), a naturally occurring near analog of ATP, is a well-documented myosin activator that has been shown to increase contractile force, improve pump function, and enhance lusitropy in the heart. Calcium transients in cardiomyocytes with elevated levels of dATP show faster calcium decay compared with cardiomyocytes with basal levels of dATP, but the mechanisms behind this are unknown. Here, we design and utilize a multiscale computational modeling framework to test the hypothesis that dATP acts on the sarcoendoplasmic reticulum calcium-ATPase (SERCA) pump to accelerate calcium re-uptake into the sarcoplasmic reticulum during cardiac relaxation. Gaussian accelerated molecular dynamics simulations of human cardiac SERCA2A in the E1
Identifiants
pubmed: 37601331
doi: 10.1063/5.0157935
pii: 5.0157935
pmc: PMC10435275
doi:
Types de publication
Journal Article
Langues
eng
Pagination
074905Subventions
Organisme : NIH HHS
ID : DP2 OD007237
Pays : United States
Organisme : NIGMS NIH HHS
ID : P41 GM103426
Pays : United States
Organisme : NIGMS NIH HHS
ID : R01 GM031749
Pays : United States
Organisme : NIBIB NIH HHS
ID : T32 EB009380
Pays : United States
Informations de copyright
© 2023 Author(s).
Déclaration de conflit d'intérêts
A. D. McCulloch is a co-founder of Vektor Medical Inc. and Insilcomed Inc., neither of which were involved either directly or indirectly in any way with this research.
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