Phytochemical evaluation of Glossocardia bosvallia (Linn. f.) Dc.: A dual approach against resistant Staphylococcus...

Rising antibiotic resistance poses a serious global health threat and increasingly limits the effectiveness of conventional treatments. This challenge has intensified the search for plant-based alternatives with strong antibacterial potential. Glossocardia bosvallia (Linn. f.) Dc., a medicinal plant belongs to the Asteraceae family, is traditionally valued for its therapeutic potential and is rich in bioactive phytochemicals. This study evaluated the phytochemicals composition and antibacterial activity of G. bosvallia extracts against Methicillin-resistant Staphylococcus aureus (MRSA) and Methicillin-susceptible Staphylococcus aureus (MSSA). Phytochemical screening revealed the presence of carbohydrates, tannins, quinones, steroids, and saponins. Antibacterial assays showed that all extracts exhibited more than 70% inhibition at 100μg/mL concentration against both staphylococcal strains. GC-MS analysis identified 38 compounds in the ethanolic extract that may contribute to the observed antibacterial activity. Molecular docking demonstrated that 13Z,16Z-docosadienoic acid and quinic acid showed better binding affinities of -8.021 and -7.291kcal/mol with mecA (PBP2a) target, a key factor in resistance compared to the drug ceftobiprole with binding affinity of -4.152kcal/mol. Molecular dynamics simulation and essential dynamics confirmed the stability of these ligand-protein complexes throughout the simulation period. ADMET and DFT were further supported the drug-likeness and electronic reactivity of the lead compounds. Collectively, these findings highlight the promising potential of G. bosvallia as a natural anti-staphylococcal agent.