Molecular Docking-Based Exploration of Green Tea Bioactive Compounds for Targeting Zucchini Yellow Mosaic Virus Genes: A Potential Control Strategy

Zucchini Yellow Mosaic Virus (ZYMV) is a major viral pathogen affecting zucchini and other cucurbit crops, resulting in substantial economic losses worldwide.This study aimed to identify potential antiviral compounds derived from green tea (Camellia sinensis) to combat ZYMV, utilizing silico molecular docking techniques.Five bioactive compounds, selected for their known phytochemical profiles, were docked against four key viral proteins encoded by the ZYMV genome-P1, HC-Pro, CI, and CP-to assess their binding affinities, interaction potential, and structural complementarity.Among the tested compounds, green tea polyphenols, particularly epicatechin gallate (ECG) and epigallocatechin gallate (EGCG), demonstrated the strongest binding affinities and molecular interactions with ZYMV proteins, surpassing the antiviral agent acyclovir.The docking analysis revealed that ECG and EGCG formed multiple stabilizing interactions, including hydrogen bonds, Pi-based interactions, and van der Waals contacts, with key amino acid residues across all four viral proteins, suggesting their potential to inhibit viral replication and movement.Polar surface area (PSA) results further supported these findings.ECG and EGCG exhibited higher PSA values (ECG: 130.61 Ų, EGCG: 197.37 Ų) compared to simpler catechins and alkaloids, indicating a greater capacity for hydrogen bonding and stronger interaction with protein active sites.Compounds with lower PSA, such as caffeine (58.40 Ų) and theophylline (69.30Ų), showed weaker binding and fewer stabilizing interactions, consistent with their limited antiviral potential.Overall, combination of strong binding affinities, diverse interaction profiles, and favorable PSA characteristics highlights ECG and EGCG as promising natural antiviral agents against ZYMV.These findings suggest the potential of green tea polyphenols as effective, and eco-friendly alternatives for viral control.However, additional in vitro and in vivo studies are necessary to validate their biological efficacy and explore their practical applications in agricultural virology and crop protection strategies.