Diversity of Bioactive Compounds from Sphagnum junghuhnianum and Their Antimicrobial Potential: An In-Vitro and In-Silico Assessment
DOI:
https://doi.org/10.48048/tis.2026.12909Keywords:
Antimicrobial activity, Bioactive metabolites, Molecular docking, Penicillin-Binding Protein 1, Sphagnum junghuhnianumAbstract
Sphagnum junghuhnianum is a moss species that has attracted attention as a potential natural source of antimicrobial agents. This study aimed to evaluate the antimicrobial activity of the methanolic extract of S. junghuhnianum and to explore its chemical profile using LC-HRMS combined with in silico approaches. Antimicrobial activity was assessed using disk diffusion assays against Gram-positive and Gram-negative bacteria, as well as pathogenic fungi. The extract exhibited notable antibacterial activity in preliminary screening, particularly against Streptococcus pyogenes (42.01 ± 0.33 mm) and Staphylococcus aureus (34.62 ± 2.21 mm), while no antifungal activity was observed under the tested conditions. LC-HRMS profiling revealed 514 putatively identified metabolites, of which 35 compounds were selected for further biological activity prediction and molecular docking analysis. PASS prediction suggested that several compounds may possess antimicrobial relevance. Molecular docking against Penicillin-Binding Protein 1 (PBP1) indicated that ursolic acid showed the most favorable binding affinity (−9.8 kcal/mol) compared to the reference ligand, suggesting a possible antibacterial mode of action. Overall, this study provides preliminary evidence supporting the antibacterial potential of S. junghuhnianum and highlights its relevance for future investigations involving quantitative bioassays and compound validation.
HIGHLIGHTS
- The methanolic extract of Sphagnum junghuhnianumexhibited notable antibacterial activity in preliminary disk diffusion assays, particularly against Streptococcus pyogenes and Staphylococcus aureus.
- LC-HRMS profiling revealed 514 putatively identified metabolites, several of which were predicted to possess antimicrobial relevance.
- Molecular docking analysis suggested that ursolic acid may interact favorably with PBP1, indicating a potential antibacterial mode of action that requires further experimental validation.
GRAPHICAL ABSTRACT
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