Effective bioactive compounds and their antiviral properties from some selected aquatic plants through in silico and in vitro approaches

The current study focused on the chosen phytochemicals from some aquatic plants for the potent antiviral activity. The fourteen aquatic plants were selected with potent bioactive compounds for antiviral activity. The preliminary study was confirmed with the molecular docking study to the binding affinity with the protein (4R0E and 1AT3) from RCSB PDB (protein data bank) in pdb. Format. Chlorogenic acid from Ipomea aquatica showed the highest binding (-7.9 and -9.6) followed by Rosmarinic acid from Zostera marina (-8.1 and -8.8), carrageenan from Odonthalia floccosa (-8.0 and -8.1) for polio and herpes simplex virus, respectively using two viral proteins (PDB ID: 4R0E and 1AT3). The same phytochemicals were then tested in vitro utilizing the vero cell line's cytopatheic technique against the poliovirus and the herpes simplex virus type-1. The result revealed chlorogenic acid, rosmarinic acid and carrageenan showed significant result (p < 0.01) at the dose dependent manner. Finally, concluded that in silico approach helped in determination of antiviral efficacy by the binding affinity of compounds with the viral protein and further confirmed using viral strains as potent antiviral agents.