Respiratory Syncytial Virus (RSV) is a viral infection that predominantly affects the respiratory airways, being
more common in younger children and some adults. Despite ribavirin being a commonly used treatment for
Respiratory Syncytial Virus, many new and more effective drugs are currently under development.
Additionally, computational tools, particularly those used in structure-based drug design, have transformed the
drug discovery process. The fusion core of the RSV structure is critical for its ability to fuse, enter, and replicate
within host cells. This study aimed to investigate molecular docking and ADMET (Absorption, Distribution,
Metabolism, Excretion, and Toxicity) properties of various phytochemicals, which have demonstrated high
potential against the RSV virus. The main objective of the research was to highlight phytochemicals, in
comparison to synthetic drugs currently available for RSV treatment, show greater potency and essential
activity. The 7LVW protein was docked with 50 ligands, with 10 of these ligands producing promising results
against RSV. The ligands showed higher docking scores than synthetic drugs, which suggests that these
phytochemicals may be suitable for prophylactic treatment against RSV. Among the compounds, Chebulic
Acid (-6.27), Hesperidin (-5.57), and Rosmarinic Acid (-6.57) displayed superior docking scores compared to
Sisunatovir and Ribavirin. This further indicates that these natural compounds may be more effective
alternatives in the treatment of RSV infections.
Keywords: Respiratory Syncytial Virus, Molecular Docking, Phytochemicals, ADMET Analysis,
Chebulic Acid, Antiviral Discovery
Publication date: 15/03/2025
https://ijbpas.com/pdf/2025/March/MS_IJBPAS_2025_MARCH_SPCL_1006.pdf
Download PDF
https://doi.org/10.31032/IJBPAS/2025/14.3.1006
