Setup and Validation of a Reliable Docking Protocol for the Development of Neuroprotective Agents by Targeting the Sigma-1 Receptor (S1R).
Sigma-1 receptor
acetylcholinesterase
aquaporins
docking
molecular modelling
neurodegeneration
neuroprotection
oxidative stress
Journal
International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791
Informations de publication
Date de publication:
18 Oct 2020
18 Oct 2020
Historique:
received:
17
09
2020
revised:
06
10
2020
accepted:
14
10
2020
entrez:
21
10
2020
pubmed:
22
10
2020
medline:
24
2
2021
Statut:
epublish
Résumé
Sigma-1 receptor (S1R) is a promising molecular target for the development of novel effective therapies against neurodegenerative diseases. To speed up the discovery of new S1R modulators, herein we report the development of a reliable in silico protocol suitable to predict the affinity of small molecules against S1R. The docking method was validated by comparing the computational calculated
Identifiants
pubmed: 33081037
pii: ijms21207708
doi: 10.3390/ijms21207708
pmc: PMC7589021
pii:
doi:
Substances chimiques
Ligands
0
Neuroprotective Agents
0
Receptors, sigma
0
Curcumin
IT942ZTH98
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Déclaration de conflit d'intérêts
The authors declare no conflict of interest.
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