Targeting Human Bocavirus: In-Silico Identification of Promising Antiviral Peptides (Research Article)

Author(s): B. Ramesh*

Abstract: Human bocavirus (HBoV) is a significant pathogen associated with respiratory and gastrointestinal diseases in children. Developing antiviral medications for HBoV is essential for effectively managing infections and minimizing complications in this vulnerable population. Antiviral peptides offer a promising strategy for precise and efficient treatment against HBoV. This study utilized in-silico methods to identify potential antiviral peptides for HBoV, focusing primarily on the VP1 protein, which plays a crucial role in viral infection by facilitating viral entry, replication, and pathogenesis. The protein sequence of VP1 was retrieved from the UniProt database, and its secondary and three-dimensional structures were predicted using PSIPRED and AlphaFold2, respectively. The predicted protein structure was refined using the GalaxyRefine server and assessed for structural integrity and quality using the PROCHECK and ProSA servers. Promising antiviral peptides were identified from the CAMPR4 database, and their three-dimensional structures were obtained from the PDB database. These antiviral peptides were subjected to docking studies with the VP1 protein of HBoV. The docking studies showed that the MBD-4 (11-40) / P9 [H21R, K23R, K28R] P9R peptide had the highest binding energies, making it the most effective antiviral peptide, followed by VP1-1RPB (Rp 71955), VP1-2FBS (LL-37), VP1-1BDS (Antihypertensive protein BDS-1), VP1-2MM6 (Alstotide S1), and VP1-2DD6 (Dermaseptin-4). This study establishes a foundation for future in vitro and in vivo research, aiming to develop potent antiviral treatments for HBoV.

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