Exploring phytochemistry, antioxidant potential, essential oil profiling and bioactive profiling of Pogostemon mollis Benth. through GC–MS and UPLC-QTOF-MS/MS

Abstract

Abstract The genus Pogostemon (Lamiaceae) is known for its diverse pharmacological and ethnomedicinal properties, which may be due to the presence of various bioactive constituents. This study investigates antioxidant potential, profiling of phytochemicals, essential oil and their derivatives from Pogostemon mollis Benth., and correlation among them. Plant parts were taken in fresh and dried forms, were extracted using methanol, acetone and distilled water through ultrasonication extraction method. Essential oil was obtained from the aerial parts through hydro-distillation with a Clevenger apparatus. Antioxidant activity by DPPH, FRAP, and ABTS, demonstrating significant radical scavenging and reducing power; dry aqueous leaf extract showing the highest inhibition (65.1 ± 0.11%) and the lowest in fresh aqueous stem extract (9.80 ± 0.24%). Total phenolic and flavonoid contents were checked for extracts, revealing maximum phenolic content in dry methanolic leaf extract (249.9 ± 0.47 mg GAE/g) and minimum in fresh acetonic root extract (64.12 ± 0.31 mg GAE/g). The highest flavonoid content was found in dry acetonic leaf extract (50.5 ± 0.00 mg RE/g), while the lowest was in fresh aqueous root extract (16.04 ± 0.49 mg RE/g). UPLC-QTOF-MS/MS revealed 99 bioactive compounds, such as anticancer (camptothecin), antiviral (zidovudine), flavonoid (luteolin), and terpenoid (nerolidol) agents. GC–MS identified 68 compounds in the essential oil, with major constituents including lupeol (6.33%), alpha-cyperone (7.15%), and caryophyllene oxide (7.23%). Significant correlations were found between total phenolic content, total flavonoid content, and antioxidant activities, highlighting the therapeutic potential of P. mollis for developing natural antioxidants and bioactive formulations.