UPLC–PDA‐ESI–QTOF–MS/MS and GC‐MS analysis of Iranian Dracocephalum moldavica L.

Dracocephalum moldavica L. is a significant component in the Iranian food basket. This study aimed to investigate the bioactive compounds and biological activities of different extracts obtained from D. moldavica aerial parts. From the aerial parts, a crude methanolic (MeOH) extract and its four sub‐fractions, that is, petroleum ether (Pet), ethyl acetate (EtOAc), n‐butanol (n‐BuOH), and aqueous (water) extracts were obtained. The total phenolic and flavonoid contents as well as the antioxidant and cytotoxic activities of the extracts were determined. Moreover, the phytochemical profiles of the essential oil (EO) and of those extracts with the highest antioxidant activity measured by GC/MS and UPLC–PDA‐ESI–QTOF–MS/MS. Results showed that the highest concentrations of phenols and flavonoids as well as the most potent antioxidant potential according to the DPPH method were determined in the EtOAc and MeOH extracts with IC(50) values of 22.0 and 34.4 µg.ml(‐1), respectively. Quantitative analysis of these extracts was subsequently performed by UPLC–PDA‐ESI–QTOF–MS/MS. Both extracts contained mainly rosmarinic acid, caffeic acid, and 2‐hydroxycinnamic acid, which may be responsible for their high antioxidant activity. Moreover, none of the extracts showed cytotoxic effects against MCF7, SW48, and a normal cell line of mouse embryonic fibroblast cells (NIH/3T3) in the tested concentrations (up to 400 μg.ml(‐1)). Additionally, GC‐MS analysis showed that oxygenated monoterpenes (55.4%) were the main constituents of the EO of D. moldavica.