Cytotoxic abietane-type diterpenoids from roots of Salvia spinosa and their in Silico pharmacophore modeling.
Nat Prod Res
; 36(12): 3183-3188, 2022 Jun.
Article
em En
| MEDLINE
| ID: mdl-34289771
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.
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Texto completo:
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Base de dados:
MEDLINE
Assunto principal:
Salvia
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Diterpenos
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Antineoplásicos
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Antineoplásicos Fitogênicos
Idioma:
En
Ano de publicação:
2022
Tipo de documento:
Article