UPLC-MS/MS-GNPS based phenolic investigation and antiviral activities against influenza A viruses H1N1 and H9N2 of Sonneratia caseolaris: A functional food development

Abstract

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.

Keywords

• Neuraminidase inhibition
• Anti-Influenza virus
• Molecular networking
• In silico
• Nanoparticles