Computer-assisted searching for coumarins in Peucedanum alsaticum L. and Peucedanum cervaria (L.) Lap

The objective of the work was continuation of our study on identification of target coumarins in extracts from Peucedanum alsaticum L. and Peucedanum cervaria (L.) Lap., by use of ChromSword, on the basis of relationships between retention data and descriptors such as partial molecular volume of structural fragments in water and energies of electrostatic interactions of bond dipoles with water (QSRR). The coumarins were mainly identified by comparing UV spectra from gradient runs with spectra from the literature. The presence of columbianadin, ostruthin, and 8-methoxypeucedanin in the fruits of P. cervaria (L.) Lap. and oxypeucedanin and isoimperatorin in the fruits of P. alsaticum was confirmed. The optimum conditions obtained from DryLab simulation were used for both RP-HPLC and RP-UPLC.