ABSTRACT This study presents a comprehensive metagenomic and computational investigation of seven high‐quality metagenome‐assembled genomes (MAGs) from gundruk , focusing on their taxonomic, functional, and enzymatic profiles. Among these, five MAGs harbor the bglA gene encoding 6‐phospho‐beta‐glucosidase, notably from Lactiplantibacillus plantarum TG15‐2, which exhibits strong myrosinase‐like activity in sinigrin degradation. Molecular docking revealed superior binding affinity of bglA (‐7.3 kcal/mol) compared to classical plant myrosinase (‐6.7 kcal/mol). Molecular dynamics simulations over 200 ns demonstrated enhanced stability, compactness, and consistent hydrogen bonding in the bglA ‐sinigrin complex, confirmed by lower RMSD and RMSF values and favorable binding free energies (−158.42 kJ/mol) via MM‐PBSA analysis. Functional annotations highlighted the presence of key probiotic and metabolic genes supporting bacterial resilience and fermentation adaptability. This integrated approach elucidates the microbial potential for glucosinolate biotransformation, paving the way for biotechnological exploitation in functional food design and nutraceutical development.
Rai et al. (Sun,) studied this question.