Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-κB pathway.
BIR, baculoviral IAP repeat
Baculoviral IAP repeat
Drug discovery
IAP, inhibitor of apoptosis proteins
IAP-antagonist
Inhibitor of apoptosis proteins
NF-kB
NF-kB, nuclear factor kappa-light-chain-enhancer of activated B cells
SM, Smac-mimetic
TAB, TAK1 binding protein
TAK1, (TGFβ)-activated kinase
TGFβ, transforming growth factor-β
TNF, tumor necrosis factor
TRAF, TNF receptor associated factor
Virtual screening
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:
2021
2021
Historique:
received:
03
08
2021
revised:
03
11
2021
accepted:
22
11
2021
entrez:
23
12
2021
pubmed:
24
12
2021
medline:
24
12
2021
Statut:
epublish
Résumé
Inhibitors of apoptosis proteins (IAPs) are validated onco-targets, as their overexpression correlates with cancer onset, progression, diffusion and chemoresistance. IAPs regulate cell death survival pathways, inflammation, and immunity. Targeting IAPs, by impairing their protein-protein interaction surfaces, can affect events occurring at different stages of cancer development. To this purpose, we employed a rational virtual screening approach to identify compounds predicted to interfere with the assembly of pro-survival macromolecular complexes. One of the candidates, FC2, was shown to bind
Identifiants
pubmed: 34938412
doi: 10.1016/j.csbj.2021.11.034
pii: S2001-0370(21)00499-2
pmc: PMC8649670
doi:
Types de publication
Journal Article
Langues
eng
Pagination
6366-6374Informations de copyright
© 2021 The Authors.
Déclaration de conflit d'intérêts
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
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