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

Nat Prod Res. 2021 Jul 22:1-6. doi: 10.1080/14786419.2021.1952202. Online ahead of print.ABSTRACTThe 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.PMID:34289771 | DOI:10.1080/14786419.2021.1952202
Source: Natural Product Research - Category: Biochemistry Authors: Source Type: research