JAK inhibitors in immune-mediated rheumatic diseases: From a molecular perspective to clinical studies.
Computational drug discovery
Immune-mediated diseases
Inflammatory diseases
JAK Inhibitors drugs
JAK-STAT Pathway
JAK1
JAK2
Molecular docking
Molecular dynamics
Molecular mechanics
Virtual screening
Journal
Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237
Informations de publication
Date de publication:
05 2021
05 2021
Historique:
received:
06
04
2020
revised:
21
09
2020
accepted:
20
10
2020
pubmed:
21
1
2021
medline:
22
6
2021
entrez:
20
1
2021
Statut:
ppublish
Résumé
The Janus Kinase signalling pathway is implicated in the pathogenesis of immune-related diseases. The potency of small-molecule Janus Kinase inhibitors in the treatment of inflammatory diseases demonstrates that this pathway can be successfully targeted for therapeutic purposes. The outstanding relevant questions concerning drugs' efficacy and toxicity challenge the research to enhance the selectivity of these drugs. The promising results of computational techniques, such as Molecular Dynamics and Molecular Docking, coupled with experimental studies, can improve the understanding of the molecular mechanism of Janus Kinase pathway and thus enable the rational design of new more selective inhibitor molecules.
Identifiants
pubmed: 33472140
pii: S1093-3263(20)30578-7
doi: 10.1016/j.jmgm.2020.107789
pii:
doi:
Substances chimiques
Janus Kinase Inhibitors
0
Protein Kinase Inhibitors
0
Janus Kinases
EC 2.7.10.2
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
107789Informations de copyright
Copyright © 2020. Published by Elsevier Inc.
Déclaration de conflit d'intérêts
Declaration of competing interest 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.