Abstract:

Rice blast, caused by the fungus Pyricularia oryzae, is one of the most destructive diseases in rice cultivation, leading to significant yield losses. Current management strategies heavily rely on chemical fungicides, which pose environmental and health risks. This study explores homoeopathic medicines, Thuja and Sulphur, as eco-friendly alternatives for managing rice blast disease. The study aimed to assess the antifungal efficacy of Thuja and Sulphur in field conditions and explore the molecular interactions of Thujone, the active compound in Thuja, with key fungal proteins using in silico docking. A field experiment was conducted with rice variety IR50 treated with Sulphur (6X and 30 potencies), Thuja (6X and 30 potencies), and controls (positive and negative). Due to unfavourable conditions, molecular docking of Thujone with four target proteins (ABC1, CLP1, HRIP1, and CTI6) was performed. Protein structures were prepared using AlphaFold and optimised with Schrödinger tools. Ligand preparation and docking were carried out using Glide Docking. Field experiments were inconclusive due to climatic factors. Docking results demonstrated that Thujone interacted effectively with all four proteins, with CLP1 showing the highest binding affinity (docking score: -5.095 kcal/mol; Glide energy: -22.102 kcal/mol). Hydrogen bonding and key residue interactions were identified, highlighting Thujone’s antifungal potential. Thuja, particularly through its active compound Thujone, exhibited promising antifungal activity against P. oryzae in silico. Despite field limitations, these findings support the potential of homoeopathic remedies as sustainable alternatives to chemical fungicides. Further field trials under controlled conditions are recommended to validate these results.

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