Cytotoxic abietane-type diterpenoids from roots of Salvia spinosa and their in Silico pharmacophore modeling

Abstract

The roots of Salvia spinosa L. (Lamiaceae) were extracted with hexane, dichloromethane (DCM) and ethyl acetate. The DCM extract exhibited cytotoxic activity (IC₅₀ 32.7 µg/mL) against MFC-7 breast cancer cell line in MTT colorimetric bioassay. Ferruginol (1), taxodione (2), 12-deoxy-6-hydroxy-6,7-dehydroroyleanone (3), 14-deoxycoleon U (4), 15-deoxyfuerstione (5) and taxodone (6) were isolated from the DCM roots extract. Their structures were elucidated by a combination of spectroscopic analyses including EIMS and ¹H- and ¹³C NMR spectra. The cytotoxicity of compound 3 was determined against MCF-7 and K562 cell lines and compared with the other compounds. A pharmacophore model was built based on potent input compounds to resolve important pharmacophore features responsible for cytotoxic activity of the isolated compounds.

Graphical Abstract

Salvia spinosa produces cytotxic abietane diterpenoids

Keywords:

• Salvia spinosa L.
• Abietane diterpenoids
• cytotoxic diterpenoids

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

The authors are thankful to financial supports of Shiraz University of Medical Sciences (grant number: 16135) Iran and the Alexander von Humboldt Foundation for generous donation of scientific equipment (3.4/V-8151/19007).