In Silico Assessment of Cannabidiol From Cannabis sativa as an Antiviral Agent Against Key Shrimp Pathogens in Aquaculture.

Shrimp aquaculture plays a crucial role in global food production but is increasingly threatened by viral and microsporidian pathogens such as White Spot Syndrome Virus (WSSV), Enterocytozoon hepatopenaei (EHP) and Infectious Hypodermal and Haematopoietic Necrosis Virus (IHHNV). Conventional reliance on antibiotics to combat these infections has raised serious concerns regarding antimicrobial resistance, environmental contamination and food safety. Additionally, environmental stressors such as salinity shifts and poor water quality exacerbate disease outbreaks, leading to severe production losses across Asia and Latin America. To explore eco-friendly therapeutic alternatives, this study assessed the antiviral potential of cannabidiol (CBD), a bioactive compound extracted from Cannabis sativa seed oil, identified through GC-MS analysis. Using molecular docking techniques, we evaluated CBD's interactions with key viral proteins: VP28 of WSSV, the tubulin β-chain of EHP and the capsid protein of IHHNV. The docking results revealed strong binding affinities of -6.61 kcal/mol (EHP), -6.72 kcal/mol (IHHNV) and -5.38 kcal/mol (WSSV), indicating stable and potentially inhibitory interactions. Structural models were retrieved from RCSB PDB and SwissModel, while ligand preparation and docking were performed using AutoDock 4.2. CBD also demonstrated favourable pharmacokinetic and safety profiles, with predictions indicating no mutagenicity, hepatotoxicity or cardiotoxicity, and acceptable drug-likeness characteristics. Compared to other plant-derived compounds previously tested in shrimp disease models, CBD exhibited superior binding stability, more interaction residues and better bioavailability scores. These findings highlight CBD as a promising dual-function agent, capable of both modulating shrimp immunity and directly inhibiting key viral pathogens. These findings highlight cannabidiol (CBD) as a promising dual-action compound, with the potential to both enhance shrimp immune responses and exert direct antiviral effects against key pathogens. This study lays a robust groundwork for future in vivo validations, formulation strategies and regulatory frameworks, ultimately supporting the development of sustainable, precision-based aquaculture health management.