Anti-inflammatory and anti-diabetic properties of indanone derivative isolated from Fernandoa adenophylla in vitro and in silico studies.
Humans
Hypoglycemic Agents
/ pharmacology
Anti-Inflammatory Agents
/ pharmacology
Molecular Docking Simulation
Cyclooxygenase 2
/ metabolism
Indans
/ pharmacology
Cyclooxygenase 1
/ metabolism
Molecular Dynamics Simulation
Glucose
/ metabolism
Hemolysis
/ drug effects
Saccharomyces cerevisiae
/ metabolism
Plant Extracts
/ pharmacology
Erythrocytes
/ drug effects
Computer Simulation
Fernandoa adenophylla
Anti-diabetic
Anti-inflammatory
In silico study
Journal
Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288
Informations de publication
Date de publication:
26 Apr 2024
26 Apr 2024
Historique:
received:
19
02
2023
accepted:
15
04
2024
medline:
27
4
2024
pubmed:
27
4
2024
entrez:
26
4
2024
Statut:
epublish
Résumé
Fernandoa adenophylla, due to the presence of phytochemicals, has various beneficial properties and is used in folk medicine to treat many conditions. This study aimed to isolate indanone derivative from F. adenophylla root heartwood and assess in-vitro anti-inflammatory and anti-diabetic characteristics at varying concentrations. Heat-induced hemolysis and glucose uptake by yeast cells assays were conducted to evaluate these properties. Besides, docking analyses were performed on four molecular targets. These studies were combined with molecular dynamics simulations to elucidate the time-evolving inhibitory effect of selected inhibitors within the active pockets of the target proteins (COX-1 and COX-2). Indanone derivative (10-100 µM) inhibited the lysis of human red blood cells from 9.12 ± 0.75 to 72.82 ± 4.36% and, at 5-100 µM concentrations, it significantly increased the yeast cells' glucose uptake (5.16 ± 1.28% to 76.59 ± 1.62%). Concluding, the isolated indanone might act as an anti-diabetic agent by interacting with critical amino acid residues of 5' adenosine monophosphate-activated protein kinase (AMPK), and it showed a binding affinity with anti-inflammatory targets COX-1, COX-2, and TNF-α. Besides, the obtained results may help to consider the indanone derivative isolated from F. adenophylla as a promising candidate for drug delivery, subject to outcomes of further in vivo and clinical studies.
Identifiants
pubmed: 38671030
doi: 10.1038/s41598-024-59703-2
pii: 10.1038/s41598-024-59703-2
doi:
Substances chimiques
Hypoglycemic Agents
0
Anti-Inflammatory Agents
0
Cyclooxygenase 2
EC 1.14.99.1
Indans
0
Cyclooxygenase 1
EC 1.14.99.1
indacrinone
B926Y9U4QN
Glucose
IY9XDZ35W2
Plant Extracts
0
PTGS1 protein, human
EC 1.14.99.1
PTGS2 protein, human
EC 1.14.99.1
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
9624Informations de copyright
© 2024. The Author(s).
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