Integrated Metabolomic and Transcriptomic Analyses Elucidate Phenolic Acid Diversity and Their Antioxidant and Functional Associations in Ocimum Species

An integrated approach combining UPLC-MS/MS metabolomics,
transcriptomics,
and antioxidant enzyme assays was employed to investigate six accessions
of three Ocimum species (O. × africanum, O. tenuiflorum, O. gratissimum). We identified 296
phenolic acid metabolites, with O. tenuiflorum exhibiting the highest abundance and showing pronounced interspecific
variation. Correlation analyses linked specific phenolic acids to
enhanced activities of SOD and POD enzymes, indicating a synergistic
role in antioxidant defense. Transcriptomic analysis revealed differentially
expressed genes (including HCT, C3’H, and CSE) in the phenylpropanoid pathway, underpinning
the metabolic diversity. Network pharmacology and molecular docking
predicted stable binding of key phenolic acids (e.g., Clinopodic acid
B) to core targets like AKT1 and EGFR, implicating pathways related
to cancer and inflammation. Our findings elucidate the link between
phenolic acid metabolism and stress resilience in Ocimum, highlighting its potential for functional food and crop improvement.