Accelerated NLRP3 inflammasome-inhibitory peptide design using a recurrent neural network model and molecular dynamics simulations.
Circular dichroism
LSTM
Molecular dynamics simulation
NLRP3
RNN
Journal
Computational and structural biotechnology journal
ISSN: 2001-0370
Titre abrégé: Comput Struct Biotechnol J
Pays: Netherlands
ID NLM: 101585369
Informations de publication
Date de publication:
2023
2023
Historique:
received:
24
02
2023
revised:
27
09
2023
accepted:
27
09
2023
medline:
19
10
2023
pubmed:
19
10
2023
entrez:
19
10
2023
Statut:
epublish
Résumé
Anomalous NLRP3 inflammasome responses have been linked to multiple health issues, including but not limited to atherosclerosis, diabetes, metabolic syndrome, cardiovascular disease, and neurodegenerative disease. Thus, targeting NLRP3 and modulating its associated immune response might be a promising strategy for developing new anti-inflammatory drugs. Herein, we report a computational method for
Identifiants
pubmed: 37854633
doi: 10.1016/j.csbj.2023.09.038
pii: S2001-0370(23)00350-1
pmc: PMC10579963
doi:
Types de publication
Journal Article
Langues
eng
Pagination
4825-4835Informations de copyright
© 2023 The Authors.
Déclaration de conflit d'intérêts
The authors declare that the research was conducted in the absence of commercial or financial relationships that could be construed as a potential conflict of interest.
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