Metabolic Profiling of Mimusops elengi Linn. Leaves extract and in silico anti-inflammatory assessment targeting NLRP3 inflammasome
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 ab...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-06-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535223002150 |
| _version_ | 1797846331045183488 |
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| author | D.F. Sayed A.H. Afifi A. Temraz A.H. Ahmed |
| author_facet | D.F. Sayed A.H. Afifi A. Temraz A.H. Ahmed |
| author_sort | D.F. Sayed |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-09T17:54:17Z |
| format | Article |
| id | doaj.art-084700ec153f4a3791aff6607508e873 |
| institution | Directory Open Access Journal |
| issn | 1878-5352 |
| language | English |
| last_indexed | 2024-04-09T17:54:17Z |
| publishDate | 2023-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Arabian Journal of Chemistry |
| spelling | doaj.art-084700ec153f4a3791aff6607508e8732023-04-15T05:52:09ZengElsevierArabian Journal of Chemistry1878-53522023-06-01166104753Metabolic Profiling of Mimusops elengi Linn. Leaves extract and in silico anti-inflammatory assessment targeting NLRP3 inflammasomeD.F. Sayed0A.H. Afifi1A. Temraz2A.H. Ahmed3Department of Drug Radiation Research, Egyptian Atomic Energy Authority (AEA), National Center for Radiation Research and Technology (NCRRT), Cairo, Egypt; Corresponding author.Pharmacognosy Department, Pharmaceutical and Drug Industries Research Institute, National Research Centre, Dokki 12622, Giza, EgyptPharmacognosy Department, Faculty of Pharmacy, Al-Azhar University (Girls), Cairo, EgyptPharmacognosy Department, Faculty of Pharmacy, Al-Azhar University (Girls), Cairo, EgyptMimusops 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.http://www.sciencedirect.com/science/article/pii/S1878535223002150Mimusops elengiSecondary metabolitesPhytochemistryCorona virusLC-Mass |
| spellingShingle | D.F. Sayed A.H. Afifi A. Temraz A.H. Ahmed Metabolic Profiling of Mimusops elengi Linn. Leaves extract and in silico anti-inflammatory assessment targeting NLRP3 inflammasome Arabian Journal of Chemistry Mimusops elengi Secondary metabolites Phytochemistry Corona virus LC-Mass |
| title | Metabolic Profiling of Mimusops elengi Linn. Leaves extract and in silico anti-inflammatory assessment targeting NLRP3 inflammasome |
| title_full | Metabolic Profiling of Mimusops elengi Linn. Leaves extract and in silico anti-inflammatory assessment targeting NLRP3 inflammasome |
| title_fullStr | Metabolic Profiling of Mimusops elengi Linn. Leaves extract and in silico anti-inflammatory assessment targeting NLRP3 inflammasome |
| title_full_unstemmed | Metabolic Profiling of Mimusops elengi Linn. Leaves extract and in silico anti-inflammatory assessment targeting NLRP3 inflammasome |
| title_short | Metabolic Profiling of Mimusops elengi Linn. Leaves extract and in silico anti-inflammatory assessment targeting NLRP3 inflammasome |
| title_sort | metabolic profiling of mimusops elengi linn leaves extract and in silico anti inflammatory assessment targeting nlrp3 inflammasome |
| topic | Mimusops elengi Secondary metabolites Phytochemistry Corona virus LC-Mass |
| url | http://www.sciencedirect.com/science/article/pii/S1878535223002150 |
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