UPLC-MS/MS-GNPS based phenolic investigation and antiviral activities against influenza A viruses H1N1 and H9N2 of Sonneratia caseolaris: A functional food development
To evaluate anti-influenza A viruses via neuraminidase inhibition of different parts of the Sonneratia caseolaris (L.) extracts (fruits, leaves, stems, and pneumatophores), modern techniques such as molecular networking, in vitro and in silico assays were applied. Using the molecular networking stra...
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Elsevier
2025-06-01
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| Series: | Journal of Agriculture and Food Research |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666154325003618 |
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| author | Nguyen-Huan Pham-Khanh Ngoc-Tien Ho Thi-Kim-Quy Ha |
| author_facet | Nguyen-Huan Pham-Khanh Ngoc-Tien Ho Thi-Kim-Quy Ha |
| author_sort | Nguyen-Huan Pham-Khanh |
| collection | DOAJ |
| description | To evaluate anti-influenza A viruses via neuraminidase inhibition of different parts of the Sonneratia caseolaris (L.) extracts (fruits, leaves, stems, and pneumatophores), modern techniques such as molecular networking, in vitro and in silico assays were applied. Using the molecular networking strategy based on the UPLC-HRESI-qTOF MS/MS-GNPS, fourteen peaks were identified as phenolic components, including twelve flavonoids (1, 2, and 4−13). The EtOH extracts from fruits, leaves, and pneumatophores show the potential for antiviral activities. The molecular docking and dynamic simulation results of oseltamivir-resistance-neuraminidase receptors (PDB: 3CL0) with compounds 9 and 11 suggested that these compounds could be promising. Furthermore, the fruit EtOH extract was successfully applied for encapsulation using a PVP K30 agent. The nanoparticles showed insignificantly phenolic release at stomach pH (1.2) but enhanced release at intestinal pH (6.8), indicating suitability for oral delivery. This study proposes a potential use of S. caseolaris and will contribute to developing natural functional foods against influenza viruses. |
| format | Article |
| id | doaj-art-ccfef61c609845afb3d2616784b83e28 |
| institution | OA Journals |
| issn | 2666-1543 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Agriculture and Food Research |
| spelling | doaj-art-ccfef61c609845afb3d2616784b83e282025-08-20T02:30:55ZengElsevierJournal of Agriculture and Food Research2666-15432025-06-012110199010.1016/j.jafr.2025.101990UPLC-MS/MS-GNPS based phenolic investigation and antiviral activities against influenza A viruses H1N1 and H9N2 of Sonneratia caseolaris: A functional food developmentNguyen-Huan Pham-Khanh0Ngoc-Tien Ho1Thi-Kim-Quy Ha2College of Natural Sciences, Can Tho University, Campus II, 3/2 Street, Ninh Kieu District, Can Tho City, 94000, Viet NamCollege of Natural Sciences, Can Tho University, Campus II, 3/2 Street, Ninh Kieu District, Can Tho City, 94000, Viet NamCorresponding author.; College of Natural Sciences, Can Tho University, Campus II, 3/2 Street, Ninh Kieu District, Can Tho City, 94000, Viet NamTo evaluate anti-influenza A viruses via neuraminidase inhibition of different parts of the Sonneratia caseolaris (L.) extracts (fruits, leaves, stems, and pneumatophores), modern techniques such as molecular networking, in vitro and in silico assays were applied. Using the molecular networking strategy based on the UPLC-HRESI-qTOF MS/MS-GNPS, fourteen peaks were identified as phenolic components, including twelve flavonoids (1, 2, and 4−13). The EtOH extracts from fruits, leaves, and pneumatophores show the potential for antiviral activities. The molecular docking and dynamic simulation results of oseltamivir-resistance-neuraminidase receptors (PDB: 3CL0) with compounds 9 and 11 suggested that these compounds could be promising. Furthermore, the fruit EtOH extract was successfully applied for encapsulation using a PVP K30 agent. The nanoparticles showed insignificantly phenolic release at stomach pH (1.2) but enhanced release at intestinal pH (6.8), indicating suitability for oral delivery. This study proposes a potential use of S. caseolaris and will contribute to developing natural functional foods against influenza viruses.http://www.sciencedirect.com/science/article/pii/S2666154325003618Neuraminidase inhibitionAnti-Influenza virusMolecular networkingIn silicoNanoparticles |
| spellingShingle | Nguyen-Huan Pham-Khanh Ngoc-Tien Ho Thi-Kim-Quy Ha UPLC-MS/MS-GNPS based phenolic investigation and antiviral activities against influenza A viruses H1N1 and H9N2 of Sonneratia caseolaris: A functional food development Journal of Agriculture and Food Research Neuraminidase inhibition Anti-Influenza virus Molecular networking In silico Nanoparticles |
| title | UPLC-MS/MS-GNPS based phenolic investigation and antiviral activities against influenza A viruses H1N1 and H9N2 of Sonneratia caseolaris: A functional food development |
| title_full | UPLC-MS/MS-GNPS based phenolic investigation and antiviral activities against influenza A viruses H1N1 and H9N2 of Sonneratia caseolaris: A functional food development |
| title_fullStr | UPLC-MS/MS-GNPS based phenolic investigation and antiviral activities against influenza A viruses H1N1 and H9N2 of Sonneratia caseolaris: A functional food development |
| title_full_unstemmed | UPLC-MS/MS-GNPS based phenolic investigation and antiviral activities against influenza A viruses H1N1 and H9N2 of Sonneratia caseolaris: A functional food development |
| title_short | UPLC-MS/MS-GNPS based phenolic investigation and antiviral activities against influenza A viruses H1N1 and H9N2 of Sonneratia caseolaris: A functional food development |
| title_sort | uplc ms ms gnps based phenolic investigation and antiviral activities against influenza a viruses h1n1 and h9n2 of sonneratia caseolaris a functional food development |
| topic | Neuraminidase inhibition Anti-Influenza virus Molecular networking In silico Nanoparticles |
| url | http://www.sciencedirect.com/science/article/pii/S2666154325003618 |
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