Explore the protein targets of Cinnamomum zeylanicum’s phytoconstituents against pathogenic Staphylococcus aureus: GC-MS profiling, molecular docking, pharmacophore, and pathway reconstruction

Staphylococcus aureus is a leading cause of severe infections, including sepsis, due to its diverse virulence factors. Alternative treatments are essential because of the side effects and resistance linked to conventional therapies. Medicinal plants like Cinnamomum zeylanicum , rich in secondary metabolites, are potential alternatives. This study explores the antimicrobial potential and target protein interaction pathway of C. zeylanicum bark against pathogenic S. aureus . Methanolic extraction of the C. zeylanicum bark was followed by qualitative and quantitative screening and GC-MS analysis to detect phytoconstituents. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) were evaluated against pathogenic S. aureus ; additionally, virulence was assessed by PCR of plc, icaA, and nuc genes. In silico analysis included molecular docking, pharmacophore, and ADMET analysis of the identified compounds against seven S. aureus target proteins. PCA of docking was conducted and generated a tetrapartite network and target protein interaction pathway using a string and KEGG database. The methanolic crude extract, containing 19 phytoconstituents, showed a significant MIC and MBC value as 5mg/mL. In silico analysis revealed that phytoconstituents alfa-copaene, alpha-muurolene, and tau-cadinol are potential inhibitors, displaying favourable binding interactions with proteins D-alanine-D-alanine ligase, dihydrofolate reductase, peptide deformylase, and penicillin-binding protein 2. Protein network and pathway analysis suggest that inhibiting the target proteins can disrupt processes like cell wall formation, DNA replication, and protein synthesis. C. zeylanicum contains phenol and flavonoid-derived phytoconstituents with the potential to inhibit pathogenic S. aureus . Further studies are needed to fully evaluate its therapeutic potential for infection treatment.