An integrated strategy to reveal the potential anti-asthma mechanism of peimine by metabolite profiling, network pharmacology, and molecular docking.
metabolites profiling
molecular docking
molecular networking
network pharmacology
peimine
Journal
Journal of separation science
ISSN: 1615-9314
Titre abrégé: J Sep Sci
Pays: Germany
ID NLM: 101088554
Informations de publication
Date de publication:
Aug 2022
Aug 2022
Historique:
revised:
10
05
2022
received:
16
02
2022
accepted:
25
05
2022
pubmed:
1
6
2022
medline:
18
8
2022
entrez:
31
5
2022
Statut:
ppublish
Résumé
Peimine, one of the major quality markers in Fritillaria Cirrhosae Bulbus, was expected to become a new anti-asthma drug. However, its metabolic profiles and anti-asthma mechanism have not been clarified previously. In this study, a method was developed for the detection of peimine metabolites in vitro by ultra-high-performance liquid chromatography coupled with hybrid triple quadrupole time-of-flight mass spectrometry. The potential anti-asthma mechanism was predicted by an integrated analysis of network pharmacology and molecular docking. A total of 19 metabolites were identified with the aid of software and molecular networking. The metabolic profiles of peimine elucidated that the metabolism was a multi-pathway process with characteristics of species difference. The network pharmacology results showed that peimine and its metabolites could regulate multiple asthma-related targets. The above targets were involved in various regulatory pathways linked to asthma. Moreover, the results of molecular docking showed that both peimine and its metabolites had a certain affinity with the β
Identifiants
pubmed: 35638750
doi: 10.1002/jssc.202200128
doi:
Substances chimiques
Anti-Asthmatic Agents
0
Cevanes
0
Drugs, Chinese Herbal
0
verticine
34QDF8UFSY
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
2819-2832Subventions
Organisme : Natural Science Foundation of Hebei
ID : H2019206562
Informations de copyright
© 2022 Wiley-VCH GmbH.
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