Phenolic Profiling of Some Bryophyte Species: In Vitro and In Silico Assessment of Their Antimicrobial Potentials

Abstract

This study explores the phytochemical composition and antimicrobial potential of Palustriella commutata, Philonotis calcarea, Cinclidotus riparius, Rhynchostegium riparioides, Plagiomnium ellipticum, and Porella platyphylla, with a focus on bryophyte species phenolic constituents and biological activities. HPLC analysis identified seven phenolic acids (4-hydroxybenzoic acid, 2,5-dihydroxybenzoic acid, 3,4-dihydroxybenzoic acid, caffeic acid, vanillic acid, syringic acid, and p-coumaric acid) across all species in varying concentrations. In in vitro antimicrobial tests, the bryophyte extracts used showed significant activity against Pseudomonas aeruginosa (ATCC 9027), while exhibiting relatively lower inhibition against Staphylococcus aureus (ATCC 25923). The study showed that all species extracts exhibited comparable activity to erythromycin against P. aeruginosa, while Cinclidotus riparius and Plagiomnium ellipticum extracts showed no activity against S. aureus, and the remaining species exhibited lower activity compared to erythromycin. Molecular docking studies demonstrated strong binding affinities of these phenolics to the active site of the target macromolecule (PDB ID: 3FRQ), suggesting meaningful interactions with residues such as ARG122 and ASN123, similar to erythromycin binding patterns. The findings indicate that bryophyte-derived phenolic compounds possess significant antimicrobial potential and may serve as promising candidates for the development of novel bioactive agents. This study provides a broad framework for the insufficiently researched antimicrobial potential of bryophytes by establishing direct links between species-specific phenolic fingerprints, experimentally observed antibacterial activities, and predicted receptor-level interactions. Further complementary biological studies are needed to confirm and expand upon these results.