Metabolic Profiling of Mimusops elengi Linn. Leaves extract and in silico anti-inflammatory assessment targeting NLRP3 inflammasome

[Display omitted] Mimusops elengi Linn. Secondary metabolites of flavonoids, phenolic acids, coumarin classes and stilbene were identified by UPLC/ESI-QTOF-HRMS/MS technique with negative ion detection. Major Mimusops elengi flavonoids included Myricitrin, Myricetin, and Kaempferol-3-O-alpha-L-rhamn...

Full description

Saved in:
Bibliographic Details
Published in:Arabian journal of chemistry 2023-06, Vol.16 (6), p.104753, Article 104753
Main Authors: Sayed, D.F., Afifi, A.H., Temraz, A., Ahmed, A.H.
Format: Article
Language:English
Subjects:
Corona virus
LC-Mass
Mimusops elengi
Phytochemistry
Secondary metabolites
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:[Display omitted] Mimusops elengi Linn. Secondary metabolites of flavonoids, phenolic acids, coumarin classes and stilbene were identified by UPLC/ESI-QTOF-HRMS/MS technique with negative ion detection. Major Mimusops elengi flavonoids included Myricitrin, Myricetin, and Kaempferol-3-O-alpha-L-rhamnoside. The most abundant Coumarin and phenolic acids detected in the chromatogram included aesculin and quinic acid respectively. Down regulation of NLRP3 inflammasome activation inhibits the severe inflammatory responses caused by virus infection. Studying in silicobinding affinity of flavonoids, coumarins and phenolic acid in M. elengi leaves extract against the ADP binding site of NLRP3 protein (PDB code: 6NPY) demonstrated that investigated compounds have docking scores ranged from −6.20 to −12.30 kcal/mol. The best score was achieved by kaempferol-3-O-(6-p-coumaroyl) -glucoside(Compound 9) followed by aesculin (Compound 25) while Quinic acid (Compound 20) showed the lowest affinity toward ADP-binding site of NLRP3.
ISSN:1878-5352
1878-5379
DOI:10.1016/j.arabjc.2023.104753