Structure-based drug repositioning: Potential and limits.
Drug repositioning
Repurposed drugs
Structure-based screening
Journal
Seminars in cancer biology
ISSN: 1096-3650
Titre abrégé: Semin Cancer Biol
Pays: England
ID NLM: 9010218
Informations de publication
Date de publication:
01 2021
01 2021
Historique:
received:
01
08
2019
revised:
08
01
2020
accepted:
16
01
2020
pubmed:
8
2
2020
medline:
1
3
2022
entrez:
8
2
2020
Statut:
ppublish
Résumé
Drug repositioning, the assignment of new therapeutic purposes to known drugs, is an established strategy with many repurposed drugs on the market and many more at experimental stage. We review three use cases, a herpes drug with benefits in cancer, a cancer drug with potential in autoimmune disease, and a selective and an unspecific drug binding the same target (GPCR). We explore these use cases from a structural point of view focusing on a deep understanding of the underlying drug-target interactions. We review tools and data needed for such a drug-centric structural repositioning approach. Finally, we show that the availability of data on targets is an important limiting factor to realize the full potential of structural drug-repositioning.
Identifiants
pubmed: 32032699
pii: S1044-579X(20)30010-9
doi: 10.1016/j.semcancer.2020.01.010
pii:
doi:
Substances chimiques
Antineoplastic Agents
0
Antiviral Agents
0
Receptors, G-Protein-Coupled
0
Types de publication
Journal Article
Review
Langues
eng
Sous-ensembles de citation
IM
Pagination
192-198Informations de copyright
Copyright © 2020 Elsevier Ltd. All rights reserved.